data_51187 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51187 _Entry.Title ; Backbone and sidechain NMR assignments of the J-domain of co-chaperone Sis1 in complex with EEVD peptide of HSP70 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-23 _Entry.Accession_date 2021-11-23 _Entry.Last_release_date 2021-11-23 _Entry.Original_release_date 2021-11-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Carolina Matos . O. . 0000-0003-4890-0510 51187 2 Glaucia Pinheiro . M.S. . 0000-0002-9001-5729 51187 3 Carlos Ramos . H. . 0000-0002-7246-9081 51187 4 Fabio Almeida . C.L. . 0000-0001-6046-7006 51187 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Campinas - Unicamp' . 51187 2 . 'Federal University of Rio de Janeiro - UFRJ' . 51187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 51187 '15N chemical shifts' 77 51187 '1H chemical shifts' 548 51187 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-18 2021-11-23 update BMRB 'update entry citation' 51187 1 . . 2022-11-23 2021-11-23 original author 'original release' 51187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4RWU 'J-domain of Sis1 protein, Hsp40 co-chaperone from Saccharomyces cerevisiae' 51187 PDB 6D6X 'HSP40 co-chaperone Sis1 J-domain' 51187 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51187 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37589820 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and sidechain NMR assignments of residues 1-81 from yeast Sis1 in complex with an Hsp70 C-terminal EEVD peptide ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 239 _Citation.Page_last 242 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Carolina Matos . O. . . 51187 1 2 Glaucia Pinheiro . M.S. . . 51187 1 3 Carlos Ramos . H. . . 51187 1 4 Fabio Almeida . C.L. . . 51187 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HSP40 51187 1 'HSP70 C-terminal tail' 51187 1 'J domain' 51187 1 NMR 51187 1 Sis1 51187 1 chaperone 51187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51187 _Assembly.ID 1 _Assembly.Name 'Sis1 J-domain with octapeptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9077.13 _Assembly.Enzyme_commission_number P25294 _Assembly.Details 'J-domain of Sis1' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'J-domain of Sis1' 1 $entity_1 . . yes native yes no . . . 51187 1 2 'HSP70 C-terminal tail octapeptide' 2 $entity_2 . . no native yes no . . . 51187 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 27405 . . 'solution NMR' . . . 51187 1 yes PDB 6D6X . . 'solution NMR' . . . 51187 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID co-chaperone 51187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMTSVKETKLYDLLGVSPSA NEQELKKGYRKAALKYHPDK PTGDTEKFKEISEAFEILND PQKREIYDQYGLEAARSGGP SFGP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNIPROT P11142 . HSC70 . . . . . . . . . . . . . . 51187 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Chaperone 51187 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 51187 1 2 -1 MET . 51187 1 3 0 THR . 51187 1 4 1 SER . 51187 1 5 2 VAL . 51187 1 6 3 LYS . 51187 1 7 4 GLU . 51187 1 8 5 THR . 51187 1 9 6 LYS . 51187 1 10 7 LEU . 51187 1 11 8 TYR . 51187 1 12 9 ASP . 51187 1 13 10 LEU . 51187 1 14 11 LEU . 51187 1 15 12 GLY . 51187 1 16 13 VAL . 51187 1 17 14 SER . 51187 1 18 15 PRO . 51187 1 19 16 SER . 51187 1 20 17 ALA . 51187 1 21 18 ASN . 51187 1 22 19 GLU . 51187 1 23 20 GLN . 51187 1 24 21 GLU . 51187 1 25 22 LEU . 51187 1 26 23 LYS . 51187 1 27 24 LYS . 51187 1 28 25 GLY . 51187 1 29 26 TYR . 51187 1 30 27 ARG . 51187 1 31 28 LYS . 51187 1 32 29 ALA . 51187 1 33 30 ALA . 51187 1 34 31 LEU . 51187 1 35 32 LYS . 51187 1 36 33 TYR . 51187 1 37 34 HIS . 51187 1 38 35 PRO . 51187 1 39 36 ASP . 51187 1 40 37 LYS . 51187 1 41 38 PRO . 51187 1 42 39 THR . 51187 1 43 40 GLY . 51187 1 44 41 ASP . 51187 1 45 42 THR . 51187 1 46 43 GLU . 51187 1 47 44 LYS . 51187 1 48 45 PHE . 51187 1 49 46 LYS . 51187 1 50 47 GLU . 51187 1 51 48 ILE . 51187 1 52 49 SER . 51187 1 53 50 GLU . 51187 1 54 51 ALA . 51187 1 55 52 PHE . 51187 1 56 53 GLU . 51187 1 57 54 ILE . 51187 1 58 55 LEU . 51187 1 59 56 ASN . 51187 1 60 57 ASP . 51187 1 61 58 PRO . 51187 1 62 59 GLN . 51187 1 63 60 LYS . 51187 1 64 61 ARG . 51187 1 65 62 GLU . 51187 1 66 63 ILE . 51187 1 67 64 TYR . 51187 1 68 65 ASP . 51187 1 69 66 GLN . 51187 1 70 67 TYR . 51187 1 71 68 GLY . 51187 1 72 69 LEU . 51187 1 73 70 GLU . 51187 1 74 71 ALA . 51187 1 75 72 ALA . 51187 1 76 73 ARG . 51187 1 77 74 SER . 51187 1 78 75 GLY . 51187 1 79 76 GLY . 51187 1 80 77 PRO . 51187 1 81 78 SER . 51187 1 82 79 PHE . 51187 1 83 80 GLY . 51187 1 84 81 PRO . 51187 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51187 1 . MET 2 2 51187 1 . THR 3 3 51187 1 . SER 4 4 51187 1 . VAL 5 5 51187 1 . LYS 6 6 51187 1 . GLU 7 7 51187 1 . THR 8 8 51187 1 . LYS 9 9 51187 1 . LEU 10 10 51187 1 . TYR 11 11 51187 1 . ASP 12 12 51187 1 . LEU 13 13 51187 1 . LEU 14 14 51187 1 . GLY 15 15 51187 1 . VAL 16 16 51187 1 . SER 17 17 51187 1 . PRO 18 18 51187 1 . SER 19 19 51187 1 . ALA 20 20 51187 1 . ASN 21 21 51187 1 . GLU 22 22 51187 1 . GLN 23 23 51187 1 . GLU 24 24 51187 1 . LEU 25 25 51187 1 . LYS 26 26 51187 1 . LYS 27 27 51187 1 . GLY 28 28 51187 1 . TYR 29 29 51187 1 . ARG 30 30 51187 1 . LYS 31 31 51187 1 . ALA 32 32 51187 1 . ALA 33 33 51187 1 . LEU 34 34 51187 1 . LYS 35 35 51187 1 . TYR 36 36 51187 1 . HIS 37 37 51187 1 . PRO 38 38 51187 1 . ASP 39 39 51187 1 . LYS 40 40 51187 1 . PRO 41 41 51187 1 . THR 42 42 51187 1 . GLY 43 43 51187 1 . ASP 44 44 51187 1 . THR 45 45 51187 1 . GLU 46 46 51187 1 . LYS 47 47 51187 1 . PHE 48 48 51187 1 . LYS 49 49 51187 1 . GLU 50 50 51187 1 . ILE 51 51 51187 1 . SER 52 52 51187 1 . GLU 53 53 51187 1 . ALA 54 54 51187 1 . PHE 55 55 51187 1 . GLU 56 56 51187 1 . ILE 57 57 51187 1 . LEU 58 58 51187 1 . ASN 59 59 51187 1 . ASP 60 60 51187 1 . PRO 61 61 51187 1 . GLN 62 62 51187 1 . LYS 63 63 51187 1 . ARG 64 64 51187 1 . GLU 65 65 51187 1 . ILE 66 66 51187 1 . TYR 67 67 51187 1 . ASP 68 68 51187 1 . GLN 69 69 51187 1 . TYR 70 70 51187 1 . GLY 71 71 51187 1 . LEU 72 72 51187 1 . GLU 73 73 51187 1 . ALA 74 74 51187 1 . ALA 75 75 51187 1 . ARG 76 76 51187 1 . SER 77 77 51187 1 . GLY 78 78 51187 1 . GLY 79 79 51187 1 . PRO 80 80 51187 1 . SER 81 81 51187 1 . PHE 82 82 51187 1 . GLY 83 83 51187 1 . PRO 84 84 51187 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51187 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPTIEEVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNIPROT P11142 . HSC70 . . . . . . . . . . . . . . 51187 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Chaperone 51187 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51187 2 2 . PRO . 51187 2 3 . THR . 51187 2 4 . ILE . 51187 2 5 . GLU . 51187 2 6 . GLU . 51187 2 7 . VAL . 51187 2 8 . ASP . 51187 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51187 2 . PRO 2 2 51187 2 . THR 3 3 51187 2 . ILE 4 4 51187 2 . GLU 5 5 51187 2 . GLU 6 6 51187 2 . VAL 7 7 51187 2 . ASP 8 8 51187 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51187 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508' . . . . . . . . . . SIS1 . 51187 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51187 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pEt32a . . . 51187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51187 _Sample.ID 1 _Sample.Name SisJ _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sis1 J-domain' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51187 1 2 GPTIEEVD 'natural abundance' . . 2 $entity_2 . . 4 . . mM . . . . 51187 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51187 _Sample_condition_list.ID 1 _Sample_condition_list.Name SisJ_EEVD _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 51187 1 pH 7.5 . pH 51187 1 pressure 1 . atm 51187 1 temperature 298 . K 51187 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51187 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51187 1 'chemical shift calculation' . 51187 1 'data analysis' . 51187 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51187 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 3 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 6 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 7 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 8 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 9 '3D HCCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 10 '3D CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 11 '3D 1H-13C NOESY aliphatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 12 '3D 1H-13C NOESY aromatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51187 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51187 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 na indirect . . . . . . 51187 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51187 1 N 15 water protons . . . . ppm 0 na indirect . . . . . . 51187 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51187 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift sisjeevd' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51187 1 2 '2D 1H-13C HSQC' . . . 51187 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51187 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.955 0.004 . 1 . . . . . -2 GLY HA2 . 51187 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.955 0.004 . 1 . . . . . -2 GLY HA3 . 51187 1 3 . 1 . 1 1 1 GLY CA C 13 45.358 0.009 . 1 . . . . . -2 GLY CA . 51187 1 4 . 1 . 1 2 2 MET H H 1 8.249 0.006 . 1 . . . . . -1 MET H . 51187 1 5 . 1 . 1 2 2 MET HA H 1 4.538 0.008 . 1 . . . . . -1 MET HA . 51187 1 6 . 1 . 1 2 2 MET HB2 H 1 2.108 0.013 . 2 . . . . . -1 MET HB2 . 51187 1 7 . 1 . 1 2 2 MET HB3 H 1 2.000 0.009 . 2 . . . . . -1 MET HB3 . 51187 1 8 . 1 . 1 2 2 MET HG2 H 1 2.527 0.010 . 1 . . . . . -1 MET HG2 . 51187 1 9 . 1 . 1 2 2 MET HG3 H 1 2.522 0.005 . 1 . . . . . -1 MET HG3 . 51187 1 10 . 1 . 1 2 2 MET HE1 H 1 2.089 0.003 . 1 . . . . . -1 MET HE1 . 51187 1 11 . 1 . 1 2 2 MET HE2 H 1 2.089 0.003 . 1 . . . . . -1 MET HE2 . 51187 1 12 . 1 . 1 2 2 MET HE3 H 1 2.089 0.003 . 1 . . . . . -1 MET HE3 . 51187 1 13 . 1 . 1 2 2 MET C C 13 176.351 0.000 . 1 . . . . . -1 MET C . 51187 1 14 . 1 . 1 2 2 MET CA C 13 55.521 0.024 . 1 . . . . . -1 MET CA . 51187 1 15 . 1 . 1 2 2 MET CB C 13 33.018 0.053 . 1 . . . . . -1 MET CB . 51187 1 16 . 1 . 1 2 2 MET CG C 13 31.960 0.000 . 1 . . . . . -1 MET CG . 51187 1 17 . 1 . 1 2 2 MET CE C 13 16.979 0.000 . 1 . . . . . -1 MET CE . 51187 1 18 . 1 . 1 2 2 MET N N 15 120.100 0.141 . 1 . . . . . -1 MET N . 51187 1 19 . 1 . 1 3 3 THR H H 1 8.243 0.007 . 1 . . . . . 0 THR H . 51187 1 20 . 1 . 1 3 3 THR HA H 1 4.347 0.008 . 1 . . . . . 0 THR HA . 51187 1 21 . 1 . 1 3 3 THR HB H 1 4.168 0.003 . 1 . . . . . 0 THR HB . 51187 1 22 . 1 . 1 3 3 THR HG21 H 1 1.334 0.011 . 1 . . . . . 0 THR HG21 . 51187 1 23 . 1 . 1 3 3 THR HG22 H 1 1.334 0.011 . 1 . . . . . 0 THR HG22 . 51187 1 24 . 1 . 1 3 3 THR HG23 H 1 1.334 0.011 . 1 . . . . . 0 THR HG23 . 51187 1 25 . 1 . 1 3 3 THR C C 13 174.203 0.000 . 1 . . . . . 0 THR C . 51187 1 26 . 1 . 1 3 3 THR CA C 13 61.947 0.025 . 1 . . . . . 0 THR CA . 51187 1 27 . 1 . 1 3 3 THR CB C 13 69.843 0.024 . 1 . . . . . 0 THR CB . 51187 1 28 . 1 . 1 3 3 THR CG2 C 13 22.203 0.000 . 1 . . . . . 0 THR CG2 . 51187 1 29 . 1 . 1 3 3 THR N N 15 115.744 0.108 . 1 . . . . . 0 THR N . 51187 1 30 . 1 . 1 4 4 SER H H 1 8.274 0.004 . 1 . . . . . 1 SER H . 51187 1 31 . 1 . 1 4 4 SER HA H 1 4.539 0.013 . 1 . . . . . 1 SER HA . 51187 1 32 . 1 . 1 4 4 SER HB2 H 1 3.809 0.006 . 1 . . . . . 1 SER HB2 . 51187 1 33 . 1 . 1 4 4 SER HB3 H 1 3.810 0.006 . 1 . . . . . 1 SER HB3 . 51187 1 34 . 1 . 1 4 4 SER C C 13 173.990 0.000 . 1 . . . . . 1 SER C . 51187 1 35 . 1 . 1 4 4 SER CA C 13 57.936 0.031 . 1 . . . . . 1 SER CA . 51187 1 36 . 1 . 1 4 4 SER CB C 13 64.097 0.019 . 1 . . . . . 1 SER CB . 51187 1 37 . 1 . 1 4 4 SER N N 15 118.627 0.057 . 1 . . . . . 1 SER N . 51187 1 38 . 1 . 1 5 5 VAL H H 1 7.906 0.005 . 1 . . . . . 2 VAL H . 51187 1 39 . 1 . 1 5 5 VAL HA H 1 4.456 0.005 . 1 . . . . . 2 VAL HA . 51187 1 40 . 1 . 1 5 5 VAL HB H 1 2.511 0.007 . 1 . . . . . 2 VAL HB . 51187 1 41 . 1 . 1 5 5 VAL HG11 H 1 0.900 0.010 . 2 . . . . . 2 VAL HG11 . 51187 1 42 . 1 . 1 5 5 VAL HG12 H 1 0.900 0.010 . 2 . . . . . 2 VAL HG12 . 51187 1 43 . 1 . 1 5 5 VAL HG13 H 1 0.900 0.010 . 2 . . . . . 2 VAL HG13 . 51187 1 44 . 1 . 1 5 5 VAL HG21 H 1 0.738 0.007 . 2 . . . . . 2 VAL HG21 . 51187 1 45 . 1 . 1 5 5 VAL HG22 H 1 0.738 0.007 . 2 . . . . . 2 VAL HG22 . 51187 1 46 . 1 . 1 5 5 VAL HG23 H 1 0.738 0.007 . 2 . . . . . 2 VAL HG23 . 51187 1 47 . 1 . 1 5 5 VAL C C 13 175.550 0.000 . 1 . . . . . 2 VAL C . 51187 1 48 . 1 . 1 5 5 VAL CA C 13 60.694 0.052 . 1 . . . . . 2 VAL CA . 51187 1 49 . 1 . 1 5 5 VAL CB C 13 32.962 0.075 . 1 . . . . . 2 VAL CB . 51187 1 50 . 1 . 1 5 5 VAL CG1 C 13 22.332 0.000 . 2 . . . . . 2 VAL CG1 . 51187 1 51 . 1 . 1 5 5 VAL CG2 C 13 19.452 0.000 . 2 . . . . . 2 VAL CG2 . 51187 1 52 . 1 . 1 5 5 VAL N N 15 117.584 0.021 . 1 . . . . . 2 VAL N . 51187 1 53 . 1 . 1 6 6 LYS H H 1 8.339 0.007 . 1 . . . . . 3 LYS H . 51187 1 54 . 1 . 1 6 6 LYS HA H 1 3.988 0.008 . 1 . . . . . 3 LYS HA . 51187 1 55 . 1 . 1 6 6 LYS HB2 H 1 1.644 0.006 . 2 . . . . . 3 LYS HB2 . 51187 1 56 . 1 . 1 6 6 LYS HB3 H 1 1.473 0.013 . 2 . . . . . 3 LYS HB3 . 51187 1 57 . 1 . 1 6 6 LYS HG2 H 1 1.266 0.012 . 1 . . . . . 3 LYS HG2 . 51187 1 58 . 1 . 1 6 6 LYS HG3 H 1 1.267 0.012 . 1 . . . . . 3 LYS HG3 . 51187 1 59 . 1 . 1 6 6 LYS HD2 H 1 1.406 0.013 . 1 . . . . . 3 LYS HD2 . 51187 1 60 . 1 . 1 6 6 LYS HD3 H 1 1.408 0.016 . 1 . . . . . 3 LYS HD3 . 51187 1 61 . 1 . 1 6 6 LYS HE2 H 1 3.032 0.011 . 1 . . . . . 3 LYS HE2 . 51187 1 62 . 1 . 1 6 6 LYS HE3 H 1 3.017 0.023 . 1 . . . . . 3 LYS HE3 . 51187 1 63 . 1 . 1 6 6 LYS C C 13 176.995 0.000 . 1 . . . . . 3 LYS C . 51187 1 64 . 1 . 1 6 6 LYS CA C 13 58.499 0.095 . 1 . . . . . 3 LYS CA . 51187 1 65 . 1 . 1 6 6 LYS CB C 13 33.038 0.101 . 1 . . . . . 3 LYS CB . 51187 1 66 . 1 . 1 6 6 LYS CG C 13 24.705 0.050 . 1 . . . . . 3 LYS CG . 51187 1 67 . 1 . 1 6 6 LYS CD C 13 29.108 0.000 . 1 . . . . . 3 LYS CD . 51187 1 68 . 1 . 1 6 6 LYS CE C 13 42.257 0.063 . 1 . . . . . 3 LYS CE . 51187 1 69 . 1 . 1 6 6 LYS N N 15 125.903 0.010 . 1 . . . . . 3 LYS N . 51187 1 70 . 1 . 1 7 7 GLU H H 1 9.261 0.007 . 1 . . . . . 4 GLU H . 51187 1 71 . 1 . 1 7 7 GLU HA H 1 4.724 0.007 . 1 . . . . . 4 GLU HA . 51187 1 72 . 1 . 1 7 7 GLU HB2 H 1 1.891 0.000 . 2 . . . . . 4 GLU HB2 . 51187 1 73 . 1 . 1 7 7 GLU HB3 H 1 2.278 0.016 . 1 . . . . . 4 GLU HB3 . 51187 1 74 . 1 . 1 7 7 GLU HG2 H 1 2.106 0.009 . 2 . . . . . 4 GLU HG2 . 51187 1 75 . 1 . 1 7 7 GLU HG3 H 1 2.259 0.013 . 2 . . . . . 4 GLU HG3 . 51187 1 76 . 1 . 1 7 7 GLU C C 13 175.786 0.000 . 1 . . . . . 4 GLU C . 51187 1 77 . 1 . 1 7 7 GLU CA C 13 54.764 0.054 . 1 . . . . . 4 GLU CA . 51187 1 78 . 1 . 1 7 7 GLU CB C 13 32.438 0.045 . 1 . . . . . 4 GLU CB . 51187 1 79 . 1 . 1 7 7 GLU CG C 13 35.886 0.131 . 1 . . . . . 4 GLU CG . 51187 1 80 . 1 . 1 7 7 GLU N N 15 117.877 0.009 . 1 . . . . . 4 GLU N . 51187 1 81 . 1 . 1 8 8 THR H H 1 8.513 0.007 . 1 . . . . . 5 THR H . 51187 1 82 . 1 . 1 8 8 THR HA H 1 4.811 0.016 . 1 . . . . . 5 THR HA . 51187 1 83 . 1 . 1 8 8 THR HB H 1 4.804 0.021 . 1 . . . . . 5 THR HB . 51187 1 84 . 1 . 1 8 8 THR HG21 H 1 1.168 0.020 . 1 . . . . . 5 THR HG21 . 51187 1 85 . 1 . 1 8 8 THR HG22 H 1 1.168 0.020 . 1 . . . . . 5 THR HG22 . 51187 1 86 . 1 . 1 8 8 THR HG23 H 1 1.168 0.020 . 1 . . . . . 5 THR HG23 . 51187 1 87 . 1 . 1 8 8 THR C C 13 176.690 0.000 . 1 . . . . . 5 THR C . 51187 1 88 . 1 . 1 8 8 THR CA C 13 62.524 0.053 . 1 . . . . . 5 THR CA . 51187 1 89 . 1 . 1 8 8 THR CB C 13 69.357 0.012 . 1 . . . . . 5 THR CB . 51187 1 90 . 1 . 1 8 8 THR CG2 C 13 21.635 0.019 . 1 . . . . . 5 THR CG2 . 51187 1 91 . 1 . 1 8 8 THR N N 15 108.791 0.011 . 1 . . . . . 5 THR N . 51187 1 92 . 1 . 1 9 9 LYS H H 1 7.726 0.008 . 1 . . . . . 6 LYS H . 51187 1 93 . 1 . 1 9 9 LYS HA H 1 4.208 0.012 . 1 . . . . . 6 LYS HA . 51187 1 94 . 1 . 1 9 9 LYS HB2 H 1 1.860 0.026 . 1 . . . . . 6 LYS HB2 . 51187 1 95 . 1 . 1 9 9 LYS HB3 H 1 1.869 0.027 . 1 . . . . . 6 LYS HB3 . 51187 1 96 . 1 . 1 9 9 LYS HG2 H 1 1.428 0.014 . 1 . . . . . 6 LYS HG2 . 51187 1 97 . 1 . 1 9 9 LYS HG3 H 1 1.428 0.015 . 1 . . . . . 6 LYS HG3 . 51187 1 98 . 1 . 1 9 9 LYS HD2 H 1 1.661 0.017 . 1 . . . . . 6 LYS HD2 . 51187 1 99 . 1 . 1 9 9 LYS HD3 H 1 1.659 0.017 . 1 . . . . . 6 LYS HD3 . 51187 1 100 . 1 . 1 9 9 LYS HE2 H 1 2.981 0.019 . 1 . . . . . 6 LYS HE2 . 51187 1 101 . 1 . 1 9 9 LYS HE3 H 1 2.982 0.020 . 1 . . . . . 6 LYS HE3 . 51187 1 102 . 1 . 1 9 9 LYS C C 13 177.451 0.000 . 1 . . . . . 6 LYS C . 51187 1 103 . 1 . 1 9 9 LYS CA C 13 60.711 0.126 . 1 . . . . . 6 LYS CA . 51187 1 104 . 1 . 1 9 9 LYS CB C 13 32.687 0.326 . 1 . . . . . 6 LYS CB . 51187 1 105 . 1 . 1 9 9 LYS CG C 13 24.538 0.064 . 1 . . . . . 6 LYS CG . 51187 1 106 . 1 . 1 9 9 LYS CD C 13 29.172 0.355 . 1 . . . . . 6 LYS CD . 51187 1 107 . 1 . 1 9 9 LYS CE C 13 42.210 0.021 . 1 . . . . . 6 LYS CE . 51187 1 108 . 1 . 1 9 9 LYS N N 15 123.352 0.008 . 1 . . . . . 6 LYS N . 51187 1 109 . 1 . 1 10 10 LEU H H 1 8.327 0.007 . 1 . . . . . 7 LEU H . 51187 1 110 . 1 . 1 10 10 LEU HA H 1 3.862 0.015 . 1 . . . . . 7 LEU HA . 51187 1 111 . 1 . 1 10 10 LEU HB2 H 1 0.846 0.023 . 1 . . . . . 7 LEU HB2 . 51187 1 112 . 1 . 1 10 10 LEU HB3 H 1 0.847 0.021 . 1 . . . . . 7 LEU HB3 . 51187 1 113 . 1 . 1 10 10 LEU HG H 1 -0.092 0.007 . 1 . . . . . 7 LEU HG . 51187 1 114 . 1 . 1 10 10 LEU HD11 H 1 0.531 0.014 . 1 . . . . . 7 LEU HD11 . 51187 1 115 . 1 . 1 10 10 LEU HD12 H 1 0.531 0.014 . 1 . . . . . 7 LEU HD12 . 51187 1 116 . 1 . 1 10 10 LEU HD13 H 1 0.531 0.014 . 1 . . . . . 7 LEU HD13 . 51187 1 117 . 1 . 1 10 10 LEU HD21 H 1 0.531 0.011 . 1 . . . . . 7 LEU HD21 . 51187 1 118 . 1 . 1 10 10 LEU HD22 H 1 0.531 0.011 . 1 . . . . . 7 LEU HD22 . 51187 1 119 . 1 . 1 10 10 LEU HD23 H 1 0.531 0.011 . 1 . . . . . 7 LEU HD23 . 51187 1 120 . 1 . 1 10 10 LEU C C 13 177.723 0.000 . 1 . . . . . 7 LEU C . 51187 1 121 . 1 . 1 10 10 LEU CA C 13 58.317 0.043 . 1 . . . . . 7 LEU CA . 51187 1 122 . 1 . 1 10 10 LEU CB C 13 40.398 0.029 . 1 . . . . . 7 LEU CB . 51187 1 123 . 1 . 1 10 10 LEU CG C 13 25.353 0.000 . 1 . . . . . 7 LEU CG . 51187 1 124 . 1 . 1 10 10 LEU CD2 C 13 21.037 0.043 . 1 . . . . . 7 LEU CD2 . 51187 1 125 . 1 . 1 10 10 LEU N N 15 113.641 0.010 . 1 . . . . . 7 LEU N . 51187 1 126 . 1 . 1 11 11 TYR H H 1 6.761 0.004 . 1 . . . . . 8 TYR H . 51187 1 127 . 1 . 1 11 11 TYR HA H 1 4.124 0.022 . 1 . . . . . 8 TYR HA . 51187 1 128 . 1 . 1 11 11 TYR HB2 H 1 3.177 0.011 . 2 . . . . . 8 TYR HB2 . 51187 1 129 . 1 . 1 11 11 TYR HB3 H 1 2.926 0.008 . 2 . . . . . 8 TYR HB3 . 51187 1 130 . 1 . 1 11 11 TYR HD1 H 1 6.966 0.011 . 1 . . . . . 8 TYR HD1 . 51187 1 131 . 1 . 1 11 11 TYR HD2 H 1 6.966 0.011 . 1 . . . . . 8 TYR HD2 . 51187 1 132 . 1 . 1 11 11 TYR C C 13 178.639 0.000 . 1 . . . . . 8 TYR C . 51187 1 133 . 1 . 1 11 11 TYR CA C 13 61.492 0.134 . 1 . . . . . 8 TYR CA . 51187 1 134 . 1 . 1 11 11 TYR CB C 13 36.773 0.067 . 1 . . . . . 8 TYR CB . 51187 1 135 . 1 . 1 11 11 TYR CD1 C 13 132.909 0.113 . 1 . . . . . 8 TYR CD1 . 51187 1 136 . 1 . 1 11 11 TYR CD2 C 13 132.909 0.113 . 1 . . . . . 8 TYR CD2 . 51187 1 137 . 1 . 1 11 11 TYR N N 15 114.886 0.020 . 1 . . . . . 8 TYR N . 51187 1 138 . 1 . 1 12 12 ASP H H 1 8.598 0.016 . 1 . . . . . 9 ASP H . 51187 1 139 . 1 . 1 12 12 ASP HA H 1 4.455 0.003 . 1 . . . . . 9 ASP HA . 51187 1 140 . 1 . 1 12 12 ASP HB2 H 1 2.904 0.008 . 2 . . . . . 9 ASP HB2 . 51187 1 141 . 1 . 1 12 12 ASP HB3 H 1 2.734 0.015 . 2 . . . . . 9 ASP HB3 . 51187 1 142 . 1 . 1 12 12 ASP C C 13 180.530 0.000 . 1 . . . . . 9 ASP C . 51187 1 143 . 1 . 1 12 12 ASP CA C 13 57.278 0.017 . 1 . . . . . 9 ASP CA . 51187 1 144 . 1 . 1 12 12 ASP CB C 13 39.939 0.132 . 1 . . . . . 9 ASP CB . 51187 1 145 . 1 . 1 12 12 ASP N N 15 120.075 0.149 . 1 . . . . . 9 ASP N . 51187 1 146 . 1 . 1 13 13 LEU H H 1 8.341 0.006 . 1 . . . . . 10 LEU H . 51187 1 147 . 1 . 1 13 13 LEU HA H 1 4.058 0.015 . 1 . . . . . 10 LEU HA . 51187 1 148 . 1 . 1 13 13 LEU HB2 H 1 1.997 0.013 . 2 . . . . . 10 LEU HB2 . 51187 1 149 . 1 . 1 13 13 LEU HB3 H 1 1.272 0.008 . 2 . . . . . 10 LEU HB3 . 51187 1 150 . 1 . 1 13 13 LEU HD11 H 1 0.809 0.009 . 1 . . . . . 10 LEU HD11 . 51187 1 151 . 1 . 1 13 13 LEU HD12 H 1 0.809 0.009 . 1 . . . . . 10 LEU HD12 . 51187 1 152 . 1 . 1 13 13 LEU HD13 H 1 0.809 0.009 . 1 . . . . . 10 LEU HD13 . 51187 1 153 . 1 . 1 13 13 LEU HD21 H 1 0.806 0.023 . 1 . . . . . 10 LEU HD21 . 51187 1 154 . 1 . 1 13 13 LEU HD22 H 1 0.806 0.023 . 1 . . . . . 10 LEU HD22 . 51187 1 155 . 1 . 1 13 13 LEU HD23 H 1 0.806 0.023 . 1 . . . . . 10 LEU HD23 . 51187 1 156 . 1 . 1 13 13 LEU C C 13 178.028 0.000 . 1 . . . . . 10 LEU C . 51187 1 157 . 1 . 1 13 13 LEU CA C 13 57.741 0.157 . 1 . . . . . 10 LEU CA . 51187 1 158 . 1 . 1 13 13 LEU CB C 13 42.749 0.012 . 1 . . . . . 10 LEU CB . 51187 1 159 . 1 . 1 13 13 LEU CD2 C 13 26.371 0.056 . 1 . . . . . 10 LEU CD2 . 51187 1 160 . 1 . 1 13 13 LEU N N 15 121.193 0.244 . 1 . . . . . 10 LEU N . 51187 1 161 . 1 . 1 14 14 LEU H H 1 6.969 0.008 . 1 . . . . . 11 LEU H . 51187 1 162 . 1 . 1 14 14 LEU HA H 1 4.274 0.015 . 1 . . . . . 11 LEU HA . 51187 1 163 . 1 . 1 14 14 LEU HB2 H 1 1.841 0.015 . 2 . . . . . 11 LEU HB2 . 51187 1 164 . 1 . 1 14 14 LEU HB3 H 1 1.660 0.010 . 2 . . . . . 11 LEU HB3 . 51187 1 165 . 1 . 1 14 14 LEU HD11 H 1 0.994 0.014 . 2 . . . . . 11 LEU HD11 . 51187 1 166 . 1 . 1 14 14 LEU HD12 H 1 0.994 0.014 . 2 . . . . . 11 LEU HD12 . 51187 1 167 . 1 . 1 14 14 LEU HD13 H 1 0.994 0.014 . 2 . . . . . 11 LEU HD13 . 51187 1 168 . 1 . 1 14 14 LEU HD21 H 1 0.966 0.028 . 2 . . . . . 11 LEU HD21 . 51187 1 169 . 1 . 1 14 14 LEU HD22 H 1 0.966 0.028 . 2 . . . . . 11 LEU HD22 . 51187 1 170 . 1 . 1 14 14 LEU HD23 H 1 0.966 0.028 . 2 . . . . . 11 LEU HD23 . 51187 1 171 . 1 . 1 14 14 LEU C C 13 175.913 0.000 . 1 . . . . . 11 LEU C . 51187 1 172 . 1 . 1 14 14 LEU CA C 13 54.095 0.028 . 1 . . . . . 11 LEU CA . 51187 1 173 . 1 . 1 14 14 LEU CB C 13 43.085 0.044 . 1 . . . . . 11 LEU CB . 51187 1 174 . 1 . 1 14 14 LEU CD1 C 13 23.422 0.030 . 1 . . . . . 11 LEU CD1 . 51187 1 175 . 1 . 1 14 14 LEU CD2 C 13 23.420 0.030 . 1 . . . . . 11 LEU CD2 . 51187 1 176 . 1 . 1 14 14 LEU N N 15 114.277 0.017 . 1 . . . . . 11 LEU N . 51187 1 177 . 1 . 1 15 15 GLY H H 1 7.977 0.006 . 1 . . . . . 12 GLY H . 51187 1 178 . 1 . 1 15 15 GLY HA2 H 1 3.980 0.027 . 1 . . . . . 12 GLY HA2 . 51187 1 179 . 1 . 1 15 15 GLY HA3 H 1 3.973 0.024 . 1 . . . . . 12 GLY HA3 . 51187 1 180 . 1 . 1 15 15 GLY C C 13 175.540 0.000 . 1 . . . . . 12 GLY C . 51187 1 181 . 1 . 1 15 15 GLY CA C 13 46.795 0.512 . 1 . . . . . 12 GLY CA . 51187 1 182 . 1 . 1 15 15 GLY N N 15 108.419 0.044 . 1 . . . . . 12 GLY N . 51187 1 183 . 1 . 1 16 16 VAL H H 1 7.830 0.006 . 1 . . . . . 13 VAL H . 51187 1 184 . 1 . 1 16 16 VAL HA H 1 4.881 0.002 . 1 . . . . . 13 VAL HA . 51187 1 185 . 1 . 1 16 16 VAL HB H 1 2.499 0.011 . 1 . . . . . 13 VAL HB . 51187 1 186 . 1 . 1 16 16 VAL HG11 H 1 0.930 0.017 . 2 . . . . . 13 VAL HG11 . 51187 1 187 . 1 . 1 16 16 VAL HG12 H 1 0.930 0.017 . 2 . . . . . 13 VAL HG12 . 51187 1 188 . 1 . 1 16 16 VAL HG13 H 1 0.930 0.017 . 2 . . . . . 13 VAL HG13 . 51187 1 189 . 1 . 1 16 16 VAL HG21 H 1 1.023 0.012 . 2 . . . . . 13 VAL HG21 . 51187 1 190 . 1 . 1 16 16 VAL HG22 H 1 1.023 0.012 . 2 . . . . . 13 VAL HG22 . 51187 1 191 . 1 . 1 16 16 VAL HG23 H 1 1.023 0.012 . 2 . . . . . 13 VAL HG23 . 51187 1 192 . 1 . 1 16 16 VAL C C 13 174.499 0.000 . 1 . . . . . 13 VAL C . 51187 1 193 . 1 . 1 16 16 VAL CA C 13 58.261 0.050 . 1 . . . . . 13 VAL CA . 51187 1 194 . 1 . 1 16 16 VAL CB C 13 35.439 0.363 . 1 . . . . . 13 VAL CB . 51187 1 195 . 1 . 1 16 16 VAL CG1 C 13 21.537 0.000 . 2 . . . . . 13 VAL CG1 . 51187 1 196 . 1 . 1 16 16 VAL CG2 C 13 19.303 0.000 . 2 . . . . . 13 VAL CG2 . 51187 1 197 . 1 . 1 16 16 VAL N N 15 110.389 0.012 . 1 . . . . . 13 VAL N . 51187 1 198 . 1 . 1 17 17 SER H H 1 8.409 0.005 . 1 . . . . . 14 SER H . 51187 1 199 . 1 . 1 17 17 SER HA H 1 4.755 0.015 . 1 . . . . . 14 SER HA . 51187 1 200 . 1 . 1 17 17 SER HB2 H 1 3.982 0.012 . 2 . . . . . 14 SER HB2 . 51187 1 201 . 1 . 1 17 17 SER HB3 H 1 3.772 0.016 . 2 . . . . . 14 SER HB3 . 51187 1 202 . 1 . 1 17 17 SER CA C 13 56.233 0.027 . 1 . . . . . 14 SER CA . 51187 1 203 . 1 . 1 17 17 SER CB C 13 63.784 0.103 . 1 . . . . . 14 SER CB . 51187 1 204 . 1 . 1 17 17 SER N N 15 116.646 0.029 . 1 . . . . . 14 SER N . 51187 1 205 . 1 . 1 18 18 PRO HA H 1 2.484 0.004 . 1 . . . . . 15 PRO HA . 51187 1 206 . 1 . 1 18 18 PRO HB2 H 1 1.761 0.007 . 2 . . . . . 15 PRO HB2 . 51187 1 207 . 1 . 1 18 18 PRO HB3 H 1 1.572 0.010 . 2 . . . . . 15 PRO HB3 . 51187 1 208 . 1 . 1 18 18 PRO HG2 H 1 1.437 0.013 . 2 . . . . . 15 PRO HG2 . 51187 1 209 . 1 . 1 18 18 PRO HG3 H 1 2.000 0.010 . 2 . . . . . 15 PRO HG3 . 51187 1 210 . 1 . 1 18 18 PRO HD2 H 1 3.579 0.008 . 2 . . . . . 15 PRO HD2 . 51187 1 211 . 1 . 1 18 18 PRO HD3 H 1 3.825 0.014 . 2 . . . . . 15 PRO HD3 . 51187 1 212 . 1 . 1 18 18 PRO C C 13 175.900 0.000 . 1 . . . . . 15 PRO C . 51187 1 213 . 1 . 1 18 18 PRO CA C 13 63.316 0.040 . 1 . . . . . 15 PRO CA . 51187 1 214 . 1 . 1 18 18 PRO CB C 13 32.202 0.079 . 1 . . . . . 15 PRO CB . 51187 1 215 . 1 . 1 18 18 PRO CG C 13 28.039 0.092 . 1 . . . . . 15 PRO CG . 51187 1 216 . 1 . 1 18 18 PRO CD C 13 50.547 0.036 . 1 . . . . . 15 PRO CD . 51187 1 217 . 1 . 1 19 19 SER H H 1 7.284 0.005 . 1 . . . . . 16 SER H . 51187 1 218 . 1 . 1 19 19 SER HA H 1 4.365 0.006 . 1 . . . . . 16 SER HA . 51187 1 219 . 1 . 1 19 19 SER HB2 H 1 3.980 0.010 . 2 . . . . . 16 SER HB2 . 51187 1 220 . 1 . 1 19 19 SER HB3 H 1 3.733 0.017 . 2 . . . . . 16 SER HB3 . 51187 1 221 . 1 . 1 19 19 SER C C 13 174.510 0.000 . 1 . . . . . 16 SER C . 51187 1 222 . 1 . 1 19 19 SER CA C 13 56.999 0.041 . 1 . . . . . 16 SER CA . 51187 1 223 . 1 . 1 19 19 SER CB C 13 63.527 0.212 . 1 . . . . . 16 SER CB . 51187 1 224 . 1 . 1 19 19 SER N N 15 108.528 0.025 . 1 . . . . . 16 SER N . 51187 1 225 . 1 . 1 20 20 ALA H H 1 7.754 0.007 . 1 . . . . . 17 ALA H . 51187 1 226 . 1 . 1 20 20 ALA HA H 1 4.321 0.011 . 1 . . . . . 17 ALA HA . 51187 1 227 . 1 . 1 20 20 ALA HB1 H 1 1.581 0.007 . 1 . . . . . 17 ALA HB1 . 51187 1 228 . 1 . 1 20 20 ALA HB2 H 1 1.581 0.007 . 1 . . . . . 17 ALA HB2 . 51187 1 229 . 1 . 1 20 20 ALA HB3 H 1 1.581 0.007 . 1 . . . . . 17 ALA HB3 . 51187 1 230 . 1 . 1 20 20 ALA C C 13 177.933 0.000 . 1 . . . . . 17 ALA C . 51187 1 231 . 1 . 1 20 20 ALA CA C 13 53.143 0.021 . 1 . . . . . 17 ALA CA . 51187 1 232 . 1 . 1 20 20 ALA CB C 13 19.738 0.044 . 1 . . . . . 17 ALA CB . 51187 1 233 . 1 . 1 20 20 ALA N N 15 124.865 0.020 . 1 . . . . . 17 ALA N . 51187 1 234 . 1 . 1 21 21 ASN H H 1 8.632 0.022 . 1 . . . . . 18 ASN H . 51187 1 235 . 1 . 1 21 21 ASN HA H 1 5.013 0.007 . 1 . . . . . 18 ASN HA . 51187 1 236 . 1 . 1 21 21 ASN HB2 H 1 3.475 0.004 . 2 . . . . . 18 ASN HB2 . 51187 1 237 . 1 . 1 21 21 ASN HB3 H 1 3.040 0.006 . 2 . . . . . 18 ASN HB3 . 51187 1 238 . 1 . 1 21 21 ASN C C 13 175.426 0.000 . 1 . . . . . 18 ASN C . 51187 1 239 . 1 . 1 21 21 ASN CA C 13 50.785 0.089 . 1 . . . . . 18 ASN CA . 51187 1 240 . 1 . 1 21 21 ASN CB C 13 38.883 0.053 . 1 . . . . . 18 ASN CB . 51187 1 241 . 1 . 1 21 21 ASN N N 15 120.272 0.251 . 1 . . . . . 18 ASN N . 51187 1 242 . 1 . 1 22 22 GLU H H 1 8.693 0.008 . 1 . . . . . 19 GLU H . 51187 1 243 . 1 . 1 22 22 GLU HA H 1 4.028 0.014 . 1 . . . . . 19 GLU HA . 51187 1 244 . 1 . 1 22 22 GLU HB2 H 1 2.255 0.021 . 2 . . . . . 19 GLU HB2 . 51187 1 245 . 1 . 1 22 22 GLU HB3 H 1 2.128 0.016 . 2 . . . . . 19 GLU HB3 . 51187 1 246 . 1 . 1 22 22 GLU HG2 H 1 2.556 0.024 . 2 . . . . . 19 GLU HG2 . 51187 1 247 . 1 . 1 22 22 GLU HG3 H 1 2.534 0.024 . 2 . . . . . 19 GLU HG3 . 51187 1 248 . 1 . 1 22 22 GLU C C 13 178.609 0.000 . 1 . . . . . 19 GLU C . 51187 1 249 . 1 . 1 22 22 GLU CA C 13 60.439 0.214 . 1 . . . . . 19 GLU CA . 51187 1 250 . 1 . 1 22 22 GLU CB C 13 29.415 0.110 . 1 . . . . . 19 GLU CB . 51187 1 251 . 1 . 1 22 22 GLU CG C 13 35.802 0.245 . 1 . . . . . 19 GLU CG . 51187 1 252 . 1 . 1 22 22 GLU N N 15 117.605 0.021 . 1 . . . . . 19 GLU N . 51187 1 253 . 1 . 1 23 23 GLN H H 1 8.181 0.007 . 1 . . . . . 20 GLN H . 51187 1 254 . 1 . 1 23 23 GLN HA H 1 4.131 0.020 . 1 . . . . . 20 GLN HA . 51187 1 255 . 1 . 1 23 23 GLN HB2 H 1 2.268 0.012 . 2 . . . . . 20 GLN HB2 . 51187 1 256 . 1 . 1 23 23 GLN HB3 H 1 2.174 0.015 . 2 . . . . . 20 GLN HB3 . 51187 1 257 . 1 . 1 23 23 GLN HG2 H 1 2.536 0.007 . 1 . . . . . 20 GLN HG2 . 51187 1 258 . 1 . 1 23 23 GLN HG3 H 1 2.534 0.003 . 1 . . . . . 20 GLN HG3 . 51187 1 259 . 1 . 1 23 23 GLN C C 13 179.210 0.000 . 1 . . . . . 20 GLN C . 51187 1 260 . 1 . 1 23 23 GLN CA C 13 59.292 0.213 . 1 . . . . . 20 GLN CA . 51187 1 261 . 1 . 1 23 23 GLN CB C 13 28.125 0.124 . 1 . . . . . 20 GLN CB . 51187 1 262 . 1 . 1 23 23 GLN CG C 13 34.361 0.000 . 1 . . . . . 20 GLN CG . 51187 1 263 . 1 . 1 23 23 GLN N N 15 118.720 0.003 . 1 . . . . . 20 GLN N . 51187 1 264 . 1 . 1 24 24 GLU H H 1 8.491 0.005 . 1 . . . . . 21 GLU H . 51187 1 265 . 1 . 1 24 24 GLU HA H 1 4.082 0.031 . 1 . . . . . 21 GLU HA . 51187 1 266 . 1 . 1 24 24 GLU HB2 H 1 2.372 0.010 . 2 . . . . . 21 GLU HB2 . 51187 1 267 . 1 . 1 24 24 GLU HB3 H 1 2.040 0.012 . 2 . . . . . 21 GLU HB3 . 51187 1 268 . 1 . 1 24 24 GLU HG2 H 1 2.599 0.008 . 2 . . . . . 21 GLU HG2 . 51187 1 269 . 1 . 1 24 24 GLU HG3 H 1 2.374 0.008 . 2 . . . . . 21 GLU HG3 . 51187 1 270 . 1 . 1 24 24 GLU C C 13 180.244 0.000 . 1 . . . . . 21 GLU C . 51187 1 271 . 1 . 1 24 24 GLU CA C 13 59.402 0.360 . 1 . . . . . 21 GLU CA . 51187 1 272 . 1 . 1 24 24 GLU CB C 13 29.876 0.070 . 1 . . . . . 21 GLU CB . 51187 1 273 . 1 . 1 24 24 GLU CG C 13 36.739 0.277 . 1 . . . . . 21 GLU CG . 51187 1 274 . 1 . 1 24 24 GLU N N 15 121.215 0.008 . 1 . . . . . 21 GLU N . 51187 1 275 . 1 . 1 25 25 LEU H H 1 8.724 0.010 . 1 . . . . . 22 LEU H . 51187 1 276 . 1 . 1 25 25 LEU HA H 1 4.103 0.025 . 1 . . . . . 22 LEU HA . 51187 1 277 . 1 . 1 25 25 LEU HB2 H 1 2.161 0.017 . 2 . . . . . 22 LEU HB2 . 51187 1 278 . 1 . 1 25 25 LEU HB3 H 1 1.501 0.018 . 2 . . . . . 22 LEU HB3 . 51187 1 279 . 1 . 1 25 25 LEU HG H 1 1.880 0.012 . 1 . . . . . 22 LEU HG . 51187 1 280 . 1 . 1 25 25 LEU HD11 H 1 0.821 0.014 . 2 . . . . . 22 LEU HD11 . 51187 1 281 . 1 . 1 25 25 LEU HD12 H 1 0.821 0.014 . 2 . . . . . 22 LEU HD12 . 51187 1 282 . 1 . 1 25 25 LEU HD13 H 1 0.821 0.014 . 2 . . . . . 22 LEU HD13 . 51187 1 283 . 1 . 1 25 25 LEU HD21 H 1 0.759 0.020 . 2 . . . . . 22 LEU HD21 . 51187 1 284 . 1 . 1 25 25 LEU HD22 H 1 0.759 0.020 . 2 . . . . . 22 LEU HD22 . 51187 1 285 . 1 . 1 25 25 LEU HD23 H 1 0.759 0.020 . 2 . . . . . 22 LEU HD23 . 51187 1 286 . 1 . 1 25 25 LEU C C 13 178.500 0.000 . 1 . . . . . 22 LEU C . 51187 1 287 . 1 . 1 25 25 LEU CA C 13 58.982 0.284 . 1 . . . . . 22 LEU CA . 51187 1 288 . 1 . 1 25 25 LEU CB C 13 42.630 0.214 . 1 . . . . . 22 LEU CB . 51187 1 289 . 1 . 1 25 25 LEU CG C 13 26.366 0.000 . 1 . . . . . 22 LEU CG . 51187 1 290 . 1 . 1 25 25 LEU CD1 C 13 25.193 0.027 . 2 . . . . . 22 LEU CD1 . 51187 1 291 . 1 . 1 25 25 LEU CD2 C 13 26.316 0.055 . 2 . . . . . 22 LEU CD2 . 51187 1 292 . 1 . 1 25 25 LEU N N 15 120.538 0.071 . 1 . . . . . 22 LEU N . 51187 1 293 . 1 . 1 26 26 LYS H H 1 8.091 0.009 . 1 . . . . . 23 LYS H . 51187 1 294 . 1 . 1 26 26 LYS HA H 1 4.011 0.014 . 1 . . . . . 23 LYS HA . 51187 1 295 . 1 . 1 26 26 LYS HB2 H 1 2.120 0.012 . 2 . . . . . 23 LYS HB2 . 51187 1 296 . 1 . 1 26 26 LYS HB3 H 1 2.034 0.013 . 2 . . . . . 23 LYS HB3 . 51187 1 297 . 1 . 1 26 26 LYS HG2 H 1 1.604 0.011 . 1 . . . . . 23 LYS HG2 . 51187 1 298 . 1 . 1 26 26 LYS HG3 H 1 1.604 0.011 . 1 . . . . . 23 LYS HG3 . 51187 1 299 . 1 . 1 26 26 LYS HD2 H 1 1.823 0.016 . 1 . . . . . 23 LYS HD2 . 51187 1 300 . 1 . 1 26 26 LYS HD3 H 1 1.824 0.016 . 1 . . . . . 23 LYS HD3 . 51187 1 301 . 1 . 1 26 26 LYS HE2 H 1 3.106 0.005 . 1 . . . . . 23 LYS HE2 . 51187 1 302 . 1 . 1 26 26 LYS HE3 H 1 3.106 0.005 . 1 . . . . . 23 LYS HE3 . 51187 1 303 . 1 . 1 26 26 LYS C C 13 178.993 0.000 . 1 . . . . . 23 LYS C . 51187 1 304 . 1 . 1 26 26 LYS CA C 13 60.454 0.202 . 1 . . . . . 23 LYS CA . 51187 1 305 . 1 . 1 26 26 LYS CB C 13 32.415 0.032 . 1 . . . . . 23 LYS CB . 51187 1 306 . 1 . 1 26 26 LYS CG C 13 26.372 0.000 . 1 . . . . . 23 LYS CG . 51187 1 307 . 1 . 1 26 26 LYS CD C 13 29.726 0.053 . 1 . . . . . 23 LYS CD . 51187 1 308 . 1 . 1 26 26 LYS CE C 13 42.216 0.000 . 1 . . . . . 23 LYS CE . 51187 1 309 . 1 . 1 26 26 LYS N N 15 118.193 0.021 . 1 . . . . . 23 LYS N . 51187 1 310 . 1 . 1 27 27 LYS H H 1 8.195 0.021 . 1 . . . . . 24 LYS H . 51187 1 311 . 1 . 1 27 27 LYS HA H 1 4.040 0.018 . 1 . . . . . 24 LYS HA . 51187 1 312 . 1 . 1 27 27 LYS HB2 H 1 1.958 0.013 . 1 . . . . . 24 LYS HB2 . 51187 1 313 . 1 . 1 27 27 LYS HB3 H 1 1.961 0.015 . 1 . . . . . 24 LYS HB3 . 51187 1 314 . 1 . 1 27 27 LYS HG2 H 1 1.489 0.020 . 2 . . . . . 24 LYS HG2 . 51187 1 315 . 1 . 1 27 27 LYS HG3 H 1 1.439 0.018 . 2 . . . . . 24 LYS HG3 . 51187 1 316 . 1 . 1 27 27 LYS HD2 H 1 1.735 0.018 . 2 . . . . . 24 LYS HD2 . 51187 1 317 . 1 . 1 27 27 LYS HD3 H 1 1.683 0.028 . 2 . . . . . 24 LYS HD3 . 51187 1 318 . 1 . 1 27 27 LYS HE2 H 1 2.998 0.020 . 1 . . . . . 24 LYS HE2 . 51187 1 319 . 1 . 1 27 27 LYS HE3 H 1 3.000 0.021 . 1 . . . . . 24 LYS HE3 . 51187 1 320 . 1 . 1 27 27 LYS C C 13 179.531 0.000 . 1 . . . . . 24 LYS C . 51187 1 321 . 1 . 1 27 27 LYS CA C 13 60.054 0.363 . 1 . . . . . 24 LYS CA . 51187 1 322 . 1 . 1 27 27 LYS CB C 13 32.552 0.133 . 1 . . . . . 24 LYS CB . 51187 1 323 . 1 . 1 27 27 LYS CG C 13 26.610 0.036 . 1 . . . . . 24 LYS CG . 51187 1 324 . 1 . 1 27 27 LYS CD C 13 29.515 0.230 . 1 . . . . . 24 LYS CD . 51187 1 325 . 1 . 1 27 27 LYS CE C 13 42.222 0.058 . 1 . . . . . 24 LYS CE . 51187 1 326 . 1 . 1 27 27 LYS N N 15 120.024 0.253 . 1 . . . . . 24 LYS N . 51187 1 327 . 1 . 1 28 28 GLY H H 1 8.410 0.009 . 1 . . . . . 25 GLY H . 51187 1 328 . 1 . 1 28 28 GLY HA2 H 1 4.016 0.020 . 2 . . . . . 25 GLY HA2 . 51187 1 329 . 1 . 1 28 28 GLY HA3 H 1 3.952 0.010 . 2 . . . . . 25 GLY HA3 . 51187 1 330 . 1 . 1 28 28 GLY C C 13 176.326 0.000 . 1 . . . . . 25 GLY C . 51187 1 331 . 1 . 1 28 28 GLY CA C 13 47.397 0.138 . 1 . . . . . 25 GLY CA . 51187 1 332 . 1 . 1 28 28 GLY N N 15 108.026 0.018 . 1 . . . . . 25 GLY N . 51187 1 333 . 1 . 1 29 29 TYR H H 1 8.573 0.008 . 1 . . . . . 26 TYR H . 51187 1 334 . 1 . 1 29 29 TYR HA H 1 4.196 0.008 . 1 . . . . . 26 TYR HA . 51187 1 335 . 1 . 1 29 29 TYR HB2 H 1 2.814 0.005 . 2 . . . . . 26 TYR HB2 . 51187 1 336 . 1 . 1 29 29 TYR HB3 H 1 2.611 0.013 . 2 . . . . . 26 TYR HB3 . 51187 1 337 . 1 . 1 29 29 TYR HD1 H 1 6.677 0.004 . 1 . . . . . 26 TYR HD1 . 51187 1 338 . 1 . 1 29 29 TYR HD2 H 1 6.677 0.004 . 1 . . . . . 26 TYR HD2 . 51187 1 339 . 1 . 1 29 29 TYR HE1 H 1 6.447 0.018 . 1 . . . . . 26 TYR HE1 . 51187 1 340 . 1 . 1 29 29 TYR HE2 H 1 6.447 0.018 . 1 . . . . . 26 TYR HE2 . 51187 1 341 . 1 . 1 29 29 TYR C C 13 176.109 0.000 . 1 . . . . . 26 TYR C . 51187 1 342 . 1 . 1 29 29 TYR CA C 13 60.861 0.095 . 1 . . . . . 26 TYR CA . 51187 1 343 . 1 . 1 29 29 TYR CB C 13 38.560 0.147 . 1 . . . . . 26 TYR CB . 51187 1 344 . 1 . 1 29 29 TYR CD1 C 13 131.280 0.228 . 1 . . . . . 26 TYR CD1 . 51187 1 345 . 1 . 1 29 29 TYR CD2 C 13 131.280 0.228 . 1 . . . . . 26 TYR CD2 . 51187 1 346 . 1 . 1 29 29 TYR CE1 C 13 117.507 0.065 . 1 . . . . . 26 TYR CE1 . 51187 1 347 . 1 . 1 29 29 TYR CE2 C 13 117.507 0.065 . 1 . . . . . 26 TYR CE2 . 51187 1 348 . 1 . 1 29 29 TYR N N 15 122.328 0.019 . 1 . . . . . 26 TYR N . 51187 1 349 . 1 . 1 30 30 ARG H H 1 8.265 0.009 . 1 . . . . . 27 ARG H . 51187 1 350 . 1 . 1 30 30 ARG HA H 1 3.594 0.014 . 1 . . . . . 27 ARG HA . 51187 1 351 . 1 . 1 30 30 ARG HB2 H 1 1.897 0.016 . 2 . . . . . 27 ARG HB2 . 51187 1 352 . 1 . 1 30 30 ARG HB3 H 1 1.894 0.015 . 2 . . . . . 27 ARG HB3 . 51187 1 353 . 1 . 1 30 30 ARG HG2 H 1 1.601 0.006 . 2 . . . . . 27 ARG HG2 . 51187 1 354 . 1 . 1 30 30 ARG HG3 H 1 1.786 0.007 . 2 . . . . . 27 ARG HG3 . 51187 1 355 . 1 . 1 30 30 ARG HD2 H 1 3.183 0.006 . 1 . . . . . 27 ARG HD2 . 51187 1 356 . 1 . 1 30 30 ARG HD3 H 1 3.183 0.005 . 1 . . . . . 27 ARG HD3 . 51187 1 357 . 1 . 1 30 30 ARG C C 13 178.960 0.000 . 1 . . . . . 27 ARG C . 51187 1 358 . 1 . 1 30 30 ARG CA C 13 59.367 0.077 . 1 . . . . . 27 ARG CA . 51187 1 359 . 1 . 1 30 30 ARG CB C 13 29.593 0.015 . 1 . . . . . 27 ARG CB . 51187 1 360 . 1 . 1 30 30 ARG CG C 13 27.648 0.006 . 1 . . . . . 27 ARG CG . 51187 1 361 . 1 . 1 30 30 ARG CD C 13 43.487 0.151 . 1 . . . . . 27 ARG CD . 51187 1 362 . 1 . 1 30 30 ARG N N 15 118.425 0.089 . 1 . . . . . 27 ARG N . 51187 1 363 . 1 . 1 31 31 LYS H H 1 7.836 0.011 . 1 . . . . . 28 LYS H . 51187 1 364 . 1 . 1 31 31 LYS HA H 1 3.965 0.014 . 1 . . . . . 28 LYS HA . 51187 1 365 . 1 . 1 31 31 LYS HB2 H 1 1.942 0.022 . 2 . . . . . 28 LYS HB2 . 51187 1 366 . 1 . 1 31 31 LYS HB3 H 1 2.005 0.028 . 2 . . . . . 28 LYS HB3 . 51187 1 367 . 1 . 1 31 31 LYS HG2 H 1 1.675 0.015 . 2 . . . . . 28 LYS HG2 . 51187 1 368 . 1 . 1 31 31 LYS HG3 H 1 1.447 0.022 . 2 . . . . . 28 LYS HG3 . 51187 1 369 . 1 . 1 31 31 LYS HD2 H 1 1.636 0.026 . 1 . . . . . 28 LYS HD2 . 51187 1 370 . 1 . 1 31 31 LYS HE2 H 1 3.006 0.024 . 1 . . . . . 28 LYS HE2 . 51187 1 371 . 1 . 1 31 31 LYS HE3 H 1 3.005 0.023 . 1 . . . . . 28 LYS HE3 . 51187 1 372 . 1 . 1 31 31 LYS C C 13 179.046 0.000 . 1 . . . . . 28 LYS C . 51187 1 373 . 1 . 1 31 31 LYS CA C 13 59.582 0.284 . 1 . . . . . 28 LYS CA . 51187 1 374 . 1 . 1 31 31 LYS CB C 13 32.416 0.203 . 1 . . . . . 28 LYS CB . 51187 1 375 . 1 . 1 31 31 LYS CG C 13 25.294 0.135 . 1 . . . . . 28 LYS CG . 51187 1 376 . 1 . 1 31 31 LYS CD C 13 29.288 0.361 . 1 . . . . . 28 LYS CD . 51187 1 377 . 1 . 1 31 31 LYS CE C 13 42.233 0.059 . 1 . . . . . 28 LYS CE . 51187 1 378 . 1 . 1 31 31 LYS N N 15 117.679 0.124 . 1 . . . . . 28 LYS N . 51187 1 379 . 1 . 1 32 32 ALA H H 1 8.081 0.010 . 1 . . . . . 29 ALA H . 51187 1 380 . 1 . 1 32 32 ALA HA H 1 4.200 0.006 . 1 . . . . . 29 ALA HA . 51187 1 381 . 1 . 1 32 32 ALA HB1 H 1 1.673 0.010 . 1 . . . . . 29 ALA HB1 . 51187 1 382 . 1 . 1 32 32 ALA HB2 H 1 1.673 0.010 . 1 . . . . . 29 ALA HB2 . 51187 1 383 . 1 . 1 32 32 ALA HB3 H 1 1.673 0.010 . 1 . . . . . 29 ALA HB3 . 51187 1 384 . 1 . 1 32 32 ALA C C 13 179.348 0.000 . 1 . . . . . 29 ALA C . 51187 1 385 . 1 . 1 32 32 ALA CA C 13 54.930 0.000 . 1 . . . . . 29 ALA CA . 51187 1 386 . 1 . 1 32 32 ALA CB C 13 18.633 0.046 . 1 . . . . . 29 ALA CB . 51187 1 387 . 1 . 1 32 32 ALA N N 15 122.593 0.015 . 1 . . . . . 29 ALA N . 51187 1 388 . 1 . 1 33 33 ALA H H 1 8.740 0.011 . 1 . . . . . 30 ALA H . 51187 1 389 . 1 . 1 33 33 ALA HA H 1 3.935 0.018 . 1 . . . . . 30 ALA HA . 51187 1 390 . 1 . 1 33 33 ALA HB1 H 1 1.132 0.009 . 1 . . . . . 30 ALA HB1 . 51187 1 391 . 1 . 1 33 33 ALA HB2 H 1 1.132 0.009 . 1 . . . . . 30 ALA HB2 . 51187 1 392 . 1 . 1 33 33 ALA HB3 H 1 1.132 0.009 . 1 . . . . . 30 ALA HB3 . 51187 1 393 . 1 . 1 33 33 ALA C C 13 179.747 0.000 . 1 . . . . . 30 ALA C . 51187 1 394 . 1 . 1 33 33 ALA CA C 13 55.059 0.036 . 1 . . . . . 30 ALA CA . 51187 1 395 . 1 . 1 33 33 ALA CB C 13 17.700 0.023 . 1 . . . . . 30 ALA CB . 51187 1 396 . 1 . 1 33 33 ALA N N 15 120.370 0.070 . 1 . . . . . 30 ALA N . 51187 1 397 . 1 . 1 34 34 LEU H H 1 7.466 0.018 . 1 . . . . . 31 LEU H . 51187 1 398 . 1 . 1 34 34 LEU HA H 1 3.995 0.007 . 1 . . . . . 31 LEU HA . 51187 1 399 . 1 . 1 34 34 LEU HB2 H 1 1.785 0.008 . 2 . . . . . 31 LEU HB2 . 51187 1 400 . 1 . 1 34 34 LEU HB3 H 1 1.535 0.021 . 2 . . . . . 31 LEU HB3 . 51187 1 401 . 1 . 1 34 34 LEU HD11 H 1 0.851 0.016 . 1 . . . . . 31 LEU HD11 . 51187 1 402 . 1 . 1 34 34 LEU HD12 H 1 0.851 0.016 . 1 . . . . . 31 LEU HD12 . 51187 1 403 . 1 . 1 34 34 LEU HD13 H 1 0.851 0.016 . 1 . . . . . 31 LEU HD13 . 51187 1 404 . 1 . 1 34 34 LEU C C 13 178.478 0.000 . 1 . . . . . 31 LEU C . 51187 1 405 . 1 . 1 34 34 LEU CA C 13 57.388 0.020 . 1 . . . . . 31 LEU CA . 51187 1 406 . 1 . 1 34 34 LEU CB C 13 42.149 0.203 . 1 . . . . . 31 LEU CB . 51187 1 407 . 1 . 1 34 34 LEU CD1 C 13 23.564 0.000 . 1 . . . . . 31 LEU CD1 . 51187 1 408 . 1 . 1 34 34 LEU N N 15 116.923 0.025 . 1 . . . . . 31 LEU N . 51187 1 409 . 1 . 1 35 35 LYS H H 1 7.297 0.012 . 1 . . . . . 32 LYS H . 51187 1 410 . 1 . 1 35 35 LYS HA H 1 3.913 0.018 . 1 . . . . . 32 LYS HA . 51187 1 411 . 1 . 1 35 35 LYS HB2 H 1 1.531 0.012 . 2 . . . . . 32 LYS HB2 . 51187 1 412 . 1 . 1 35 35 LYS HB3 H 1 1.420 0.011 . 2 . . . . . 32 LYS HB3 . 51187 1 413 . 1 . 1 35 35 LYS HG2 H 1 0.648 0.006 . 2 . . . . . 32 LYS HG2 . 51187 1 414 . 1 . 1 35 35 LYS HG3 H 1 1.015 0.013 . 2 . . . . . 32 LYS HG3 . 51187 1 415 . 1 . 1 35 35 LYS HD2 H 1 1.009 0.017 . 1 . . . . . 32 LYS HD2 . 51187 1 416 . 1 . 1 35 35 LYS HD3 H 1 1.009 0.018 . 1 . . . . . 32 LYS HD3 . 51187 1 417 . 1 . 1 35 35 LYS HE2 H 1 2.827 0.024 . 1 . . . . . 32 LYS HE2 . 51187 1 418 . 1 . 1 35 35 LYS C C 13 177.596 0.000 . 1 . . . . . 32 LYS C . 51187 1 419 . 1 . 1 35 35 LYS CA C 13 58.196 0.047 . 1 . . . . . 32 LYS CA . 51187 1 420 . 1 . 1 35 35 LYS CB C 13 32.830 0.020 . 1 . . . . . 32 LYS CB . 51187 1 421 . 1 . 1 35 35 LYS CG C 13 24.470 0.002 . 1 . . . . . 32 LYS CG . 51187 1 422 . 1 . 1 35 35 LYS CD C 13 29.511 0.000 . 1 . . . . . 32 LYS CD . 51187 1 423 . 1 . 1 35 35 LYS CE C 13 42.297 0.212 . 1 . . . . . 32 LYS CE . 51187 1 424 . 1 . 1 35 35 LYS N N 15 117.057 0.019 . 1 . . . . . 32 LYS N . 51187 1 425 . 1 . 1 36 36 TYR H H 1 7.788 0.007 . 1 . . . . . 33 TYR H . 51187 1 426 . 1 . 1 36 36 TYR HA H 1 4.708 0.012 . 1 . . . . . 33 TYR HA . 51187 1 427 . 1 . 1 36 36 TYR HB2 H 1 3.431 0.013 . 2 . . . . . 33 TYR HB2 . 51187 1 428 . 1 . 1 36 36 TYR HB3 H 1 2.590 0.013 . 2 . . . . . 33 TYR HB3 . 51187 1 429 . 1 . 1 36 36 TYR HD1 H 1 7.252 0.011 . 1 . . . . . 33 TYR HD1 . 51187 1 430 . 1 . 1 36 36 TYR HD2 H 1 7.252 0.011 . 1 . . . . . 33 TYR HD2 . 51187 1 431 . 1 . 1 36 36 TYR HE1 H 1 6.884 0.022 . 1 . . . . . 33 TYR HE1 . 51187 1 432 . 1 . 1 36 36 TYR HE2 H 1 6.884 0.022 . 1 . . . . . 33 TYR HE2 . 51187 1 433 . 1 . 1 36 36 TYR C C 13 174.879 0.000 . 1 . . . . . 33 TYR C . 51187 1 434 . 1 . 1 36 36 TYR CA C 13 58.204 0.034 . 1 . . . . . 33 TYR CA . 51187 1 435 . 1 . 1 36 36 TYR CB C 13 39.099 0.155 . 1 . . . . . 33 TYR CB . 51187 1 436 . 1 . 1 36 36 TYR CD1 C 13 133.363 0.020 . 1 . . . . . 33 TYR CD1 . 51187 1 437 . 1 . 1 36 36 TYR CD2 C 13 133.363 0.020 . 1 . . . . . 33 TYR CD2 . 51187 1 438 . 1 . 1 36 36 TYR CE1 C 13 118.188 0.149 . 1 . . . . . 33 TYR CE1 . 51187 1 439 . 1 . 1 36 36 TYR CE2 C 13 118.188 0.149 . 1 . . . . . 33 TYR CE2 . 51187 1 440 . 1 . 1 36 36 TYR N N 15 114.084 0.022 . 1 . . . . . 33 TYR N . 51187 1 441 . 1 . 1 37 37 HIS H H 1 7.782 0.008 . 1 . . . . . 34 HIS H . 51187 1 442 . 1 . 1 37 37 HIS HA H 1 4.107 0.017 . 1 . . . . . 34 HIS HA . 51187 1 443 . 1 . 1 37 37 HIS HB2 H 1 3.175 0.008 . 2 . . . . . 34 HIS HB2 . 51187 1 444 . 1 . 1 37 37 HIS HB3 H 1 2.934 0.009 . 2 . . . . . 34 HIS HB3 . 51187 1 445 . 1 . 1 37 37 HIS HD2 H 1 6.985 0.007 . 1 . . . . . 34 HIS HD2 . 51187 1 446 . 1 . 1 37 37 HIS HE1 H 1 8.194 0.000 . 1 . . . . . 34 HIS HE1 . 51187 1 447 . 1 . 1 37 37 HIS CA C 13 55.392 0.061 . 1 . . . . . 34 HIS CA . 51187 1 448 . 1 . 1 37 37 HIS CB C 13 29.278 0.045 . 1 . . . . . 34 HIS CB . 51187 1 449 . 1 . 1 37 37 HIS CD2 C 13 119.513 0.275 . 1 . . . . . 34 HIS CD2 . 51187 1 450 . 1 . 1 37 37 HIS CE1 C 13 137.230 0.000 . 1 . . . . . 34 HIS CE1 . 51187 1 451 . 1 . 1 37 37 HIS N N 15 119.931 0.137 . 1 . . . . . 34 HIS N . 51187 1 452 . 1 . 1 38 38 PRO HA H 1 4.447 0.004 . 1 . . . . . 35 PRO HA . 51187 1 453 . 1 . 1 38 38 PRO HB2 H 1 2.285 0.003 . 2 . . . . . 35 PRO HB2 . 51187 1 454 . 1 . 1 38 38 PRO HB3 H 1 1.932 0.000 . 2 . . . . . 35 PRO HB3 . 51187 1 455 . 1 . 1 38 38 PRO HG2 H 1 2.009 0.010 . 2 . . . . . 35 PRO HG2 . 51187 1 456 . 1 . 1 38 38 PRO HG3 H 1 2.122 0.005 . 2 . . . . . 35 PRO HG3 . 51187 1 457 . 1 . 1 38 38 PRO HD2 H 1 3.780 0.010 . 2 . . . . . 35 PRO HD2 . 51187 1 458 . 1 . 1 38 38 PRO HD3 H 1 3.839 0.014 . 2 . . . . . 35 PRO HD3 . 51187 1 459 . 1 . 1 38 38 PRO C C 13 176.512 0.000 . 1 . . . . . 35 PRO C . 51187 1 460 . 1 . 1 38 38 PRO CA C 13 63.486 0.030 . 1 . . . . . 35 PRO CA . 51187 1 461 . 1 . 1 38 38 PRO CB C 13 32.094 0.178 . 1 . . . . . 35 PRO CB . 51187 1 462 . 1 . 1 38 38 PRO CG C 13 27.484 0.279 . 1 . . . . . 35 PRO CG . 51187 1 463 . 1 . 1 38 38 PRO CD C 13 50.623 0.094 . 1 . . . . . 35 PRO CD . 51187 1 464 . 1 . 1 39 39 ASP H H 1 8.354 0.011 . 1 . . . . . 36 ASP H . 51187 1 465 . 1 . 1 39 39 ASP HA H 1 4.648 0.005 . 1 . . . . . 36 ASP HA . 51187 1 466 . 1 . 1 39 39 ASP HB2 H 1 2.747 0.018 . 2 . . . . . 36 ASP HB2 . 51187 1 467 . 1 . 1 39 39 ASP HB3 H 1 2.652 0.005 . 2 . . . . . 36 ASP HB3 . 51187 1 468 . 1 . 1 39 39 ASP C C 13 175.111 0.000 . 1 . . . . . 36 ASP C . 51187 1 469 . 1 . 1 39 39 ASP CA C 13 54.223 0.023 . 1 . . . . . 36 ASP CA . 51187 1 470 . 1 . 1 39 39 ASP CB C 13 40.511 0.214 . 1 . . . . . 36 ASP CB . 51187 1 471 . 1 . 1 39 39 ASP N N 15 119.934 0.129 . 1 . . . . . 36 ASP N . 51187 1 472 . 1 . 1 40 40 LYS H H 1 7.725 0.009 . 1 . . . . . 37 LYS H . 51187 1 473 . 1 . 1 40 40 LYS HB2 H 1 1.838 0.018 . 2 . . . . . 37 LYS HB2 . 51187 1 474 . 1 . 1 40 40 LYS HB3 H 1 1.736 0.000 . 2 . . . . . 37 LYS HB3 . 51187 1 475 . 1 . 1 40 40 LYS HG2 H 1 1.260 0.013 . 2 . . . . . 37 LYS HG2 . 51187 1 476 . 1 . 1 40 40 LYS HG3 H 1 1.410 0.012 . 2 . . . . . 37 LYS HG3 . 51187 1 477 . 1 . 1 40 40 LYS HD2 H 1 1.656 0.012 . 2 . . . . . 37 LYS HD2 . 51187 1 478 . 1 . 1 40 40 LYS HD3 H 1 1.726 0.021 . 2 . . . . . 37 LYS HD3 . 51187 1 479 . 1 . 1 40 40 LYS HE2 H 1 2.988 0.021 . 2 . . . . . 37 LYS HE2 . 51187 1 480 . 1 . 1 40 40 LYS HE3 H 1 3.008 0.025 . 2 . . . . . 37 LYS HE3 . 51187 1 481 . 1 . 1 40 40 LYS CA C 13 57.740 0.000 . 1 . . . . . 37 LYS CA . 51187 1 482 . 1 . 1 40 40 LYS CB C 13 33.334 0.334 . 1 . . . . . 37 LYS CB . 51187 1 483 . 1 . 1 40 40 LYS CG C 13 24.600 0.089 . 1 . . . . . 37 LYS CG . 51187 1 484 . 1 . 1 40 40 LYS CD C 13 29.108 0.295 . 1 . . . . . 37 LYS CD . 51187 1 485 . 1 . 1 40 40 LYS CE C 13 42.247 0.056 . 1 . . . . . 37 LYS CE . 51187 1 486 . 1 . 1 40 40 LYS N N 15 126.004 0.011 . 1 . . . . . 37 LYS N . 51187 1 487 . 1 . 1 41 41 PRO HA H 1 4.488 0.009 . 1 . . . . . 38 PRO HA . 51187 1 488 . 1 . 1 41 41 PRO HB2 H 1 2.392 0.012 . 2 . . . . . 38 PRO HB2 . 51187 1 489 . 1 . 1 41 41 PRO HB3 H 1 2.029 0.022 . 2 . . . . . 38 PRO HB3 . 51187 1 490 . 1 . 1 41 41 PRO HG2 H 1 2.119 0.011 . 2 . . . . . 38 PRO HG2 . 51187 1 491 . 1 . 1 41 41 PRO HG3 H 1 2.022 0.016 . 2 . . . . . 38 PRO HG3 . 51187 1 492 . 1 . 1 41 41 PRO HD2 H 1 3.838 0.021 . 2 . . . . . 38 PRO HD2 . 51187 1 493 . 1 . 1 41 41 PRO HD3 H 1 3.807 0.024 . 2 . . . . . 38 PRO HD3 . 51187 1 494 . 1 . 1 41 41 PRO C C 13 177.546 0.000 . 1 . . . . . 38 PRO C . 51187 1 495 . 1 . 1 41 41 PRO CA C 13 64.750 0.027 . 1 . . . . . 38 PRO CA . 51187 1 496 . 1 . 1 41 41 PRO CB C 13 32.085 0.223 . 1 . . . . . 38 PRO CB . 51187 1 497 . 1 . 1 41 41 PRO CG C 13 27.754 0.270 . 1 . . . . . 38 PRO CG . 51187 1 498 . 1 . 1 41 41 PRO CD C 13 50.576 0.037 . 1 . . . . . 38 PRO CD . 51187 1 499 . 1 . 1 42 42 THR H H 1 7.387 0.009 . 1 . . . . . 39 THR H . 51187 1 500 . 1 . 1 42 42 THR HA H 1 4.469 0.034 . 1 . . . . . 39 THR HA . 51187 1 501 . 1 . 1 42 42 THR HB H 1 4.495 0.031 . 1 . . . . . 39 THR HB . 51187 1 502 . 1 . 1 42 42 THR HG21 H 1 1.207 0.010 . 1 . . . . . 39 THR HG21 . 51187 1 503 . 1 . 1 42 42 THR HG22 H 1 1.207 0.010 . 1 . . . . . 39 THR HG22 . 51187 1 504 . 1 . 1 42 42 THR HG23 H 1 1.207 0.010 . 1 . . . . . 39 THR HG23 . 51187 1 505 . 1 . 1 42 42 THR C C 13 174.727 0.000 . 1 . . . . . 39 THR C . 51187 1 506 . 1 . 1 42 42 THR CA C 13 60.760 0.050 . 1 . . . . . 39 THR CA . 51187 1 507 . 1 . 1 42 42 THR CB C 13 69.272 0.035 . 1 . . . . . 39 THR CB . 51187 1 508 . 1 . 1 42 42 THR CG2 C 13 21.645 0.000 . 1 . . . . . 39 THR CG2 . 51187 1 509 . 1 . 1 42 42 THR N N 15 106.623 0.009 . 1 . . . . . 39 THR N . 51187 1 510 . 1 . 1 43 43 GLY H H 1 8.048 0.007 . 1 . . . . . 40 GLY H . 51187 1 511 . 1 . 1 43 43 GLY HA2 H 1 4.444 0.004 . 2 . . . . . 40 GLY HA2 . 51187 1 512 . 1 . 1 43 43 GLY HA3 H 1 3.932 0.006 . 2 . . . . . 40 GLY HA3 . 51187 1 513 . 1 . 1 43 43 GLY C C 13 173.492 0.000 . 1 . . . . . 40 GLY C . 51187 1 514 . 1 . 1 43 43 GLY CA C 13 45.821 0.089 . 1 . . . . . 40 GLY CA . 51187 1 515 . 1 . 1 43 43 GLY N N 15 109.801 0.024 . 1 . . . . . 40 GLY N . 51187 1 516 . 1 . 1 44 44 ASP H H 1 8.367 0.010 . 1 . . . . . 41 ASP H . 51187 1 517 . 1 . 1 44 44 ASP HA H 1 4.884 0.004 . 1 . . . . . 41 ASP HA . 51187 1 518 . 1 . 1 44 44 ASP HB2 H 1 2.855 0.015 . 2 . . . . . 41 ASP HB2 . 51187 1 519 . 1 . 1 44 44 ASP HB3 H 1 2.765 0.015 . 2 . . . . . 41 ASP HB3 . 51187 1 520 . 1 . 1 44 44 ASP C C 13 176.133 0.000 . 1 . . . . . 41 ASP C . 51187 1 521 . 1 . 1 44 44 ASP CA C 13 54.157 0.008 . 1 . . . . . 41 ASP CA . 51187 1 522 . 1 . 1 44 44 ASP CB C 13 42.523 0.181 . 1 . . . . . 41 ASP CB . 51187 1 523 . 1 . 1 44 44 ASP N N 15 120.104 0.063 . 1 . . . . . 41 ASP N . 51187 1 524 . 1 . 1 45 45 THR H H 1 8.623 0.006 . 1 . . . . . 42 THR H . 51187 1 525 . 1 . 1 45 45 THR HA H 1 4.064 0.007 . 1 . . . . . 42 THR HA . 51187 1 526 . 1 . 1 45 45 THR HB H 1 4.324 0.009 . 1 . . . . . 42 THR HB . 51187 1 527 . 1 . 1 45 45 THR HG21 H 1 1.327 0.008 . 1 . . . . . 42 THR HG21 . 51187 1 528 . 1 . 1 45 45 THR HG22 H 1 1.327 0.008 . 1 . . . . . 42 THR HG22 . 51187 1 529 . 1 . 1 45 45 THR HG23 H 1 1.327 0.008 . 1 . . . . . 42 THR HG23 . 51187 1 530 . 1 . 1 45 45 THR C C 13 176.221 0.000 . 1 . . . . . 42 THR C . 51187 1 531 . 1 . 1 45 45 THR CA C 13 65.503 0.032 . 1 . . . . . 42 THR CA . 51187 1 532 . 1 . 1 45 45 THR CB C 13 69.066 0.056 . 1 . . . . . 42 THR CB . 51187 1 533 . 1 . 1 45 45 THR CG2 C 13 21.612 0.000 . 1 . . . . . 42 THR CG2 . 51187 1 534 . 1 . 1 45 45 THR N N 15 118.834 0.019 . 1 . . . . . 42 THR N . 51187 1 535 . 1 . 1 46 46 GLU H H 1 8.365 0.008 . 1 . . . . . 43 GLU H . 51187 1 536 . 1 . 1 46 46 GLU HA H 1 4.128 0.020 . 1 . . . . . 43 GLU HA . 51187 1 537 . 1 . 1 46 46 GLU HB2 H 1 2.138 0.021 . 1 . . . . . 43 GLU HB2 . 51187 1 538 . 1 . 1 46 46 GLU HB3 H 1 2.140 0.021 . 1 . . . . . 43 GLU HB3 . 51187 1 539 . 1 . 1 46 46 GLU HG2 H 1 2.371 0.012 . 2 . . . . . 43 GLU HG2 . 51187 1 540 . 1 . 1 46 46 GLU HG3 H 1 2.527 0.021 . 2 . . . . . 43 GLU HG3 . 51187 1 541 . 1 . 1 46 46 GLU C C 13 179.100 0.000 . 1 . . . . . 43 GLU C . 51187 1 542 . 1 . 1 46 46 GLU CA C 13 59.272 0.210 . 1 . . . . . 43 GLU CA . 51187 1 543 . 1 . 1 46 46 GLU CB C 13 28.823 0.413 . 1 . . . . . 43 GLU CB . 51187 1 544 . 1 . 1 46 46 GLU CG C 13 35.836 0.192 . 1 . . . . . 43 GLU CG . 51187 1 545 . 1 . 1 46 46 GLU N N 15 122.455 0.028 . 1 . . . . . 43 GLU N . 51187 1 546 . 1 . 1 47 47 LYS H H 1 8.227 0.018 . 1 . . . . . 44 LYS H . 51187 1 547 . 1 . 1 47 47 LYS HA H 1 4.006 0.022 . 1 . . . . . 44 LYS HA . 51187 1 548 . 1 . 1 47 47 LYS HB2 H 1 1.492 0.012 . 2 . . . . . 44 LYS HB2 . 51187 1 549 . 1 . 1 47 47 LYS HB3 H 1 1.200 0.017 . 2 . . . . . 44 LYS HB3 . 51187 1 550 . 1 . 1 47 47 LYS HG2 H 1 1.145 0.012 . 2 . . . . . 44 LYS HG2 . 51187 1 551 . 1 . 1 47 47 LYS HG3 H 1 1.219 0.019 . 2 . . . . . 44 LYS HG3 . 51187 1 552 . 1 . 1 47 47 LYS HD2 H 1 1.450 0.021 . 2 . . . . . 44 LYS HD2 . 51187 1 553 . 1 . 1 47 47 LYS HD3 H 1 1.409 0.020 . 2 . . . . . 44 LYS HD3 . 51187 1 554 . 1 . 1 47 47 LYS HE2 H 1 2.830 0.018 . 1 . . . . . 44 LYS HE2 . 51187 1 555 . 1 . 1 47 47 LYS C C 13 178.928 0.000 . 1 . . . . . 44 LYS C . 51187 1 556 . 1 . 1 47 47 LYS CA C 13 58.407 0.250 . 1 . . . . . 44 LYS CA . 51187 1 557 . 1 . 1 47 47 LYS CB C 13 31.494 0.141 . 1 . . . . . 44 LYS CB . 51187 1 558 . 1 . 1 47 47 LYS CG C 13 24.795 0.057 . 1 . . . . . 44 LYS CG . 51187 1 559 . 1 . 1 47 47 LYS CD C 13 28.245 0.049 . 1 . . . . . 44 LYS CD . 51187 1 560 . 1 . 1 47 47 LYS CE C 13 42.190 0.146 . 1 . . . . . 44 LYS CE . 51187 1 561 . 1 . 1 47 47 LYS N N 15 120.327 0.226 . 1 . . . . . 44 LYS N . 51187 1 562 . 1 . 1 48 48 PHE H H 1 8.438 0.011 . 1 . . . . . 45 PHE H . 51187 1 563 . 1 . 1 48 48 PHE HA H 1 4.092 0.019 . 1 . . . . . 45 PHE HA . 51187 1 564 . 1 . 1 48 48 PHE HB2 H 1 3.178 0.008 . 2 . . . . . 45 PHE HB2 . 51187 1 565 . 1 . 1 48 48 PHE HB3 H 1 3.023 0.013 . 2 . . . . . 45 PHE HB3 . 51187 1 566 . 1 . 1 48 48 PHE HD1 H 1 7.117 0.008 . 1 . . . . . 45 PHE HD1 . 51187 1 567 . 1 . 1 48 48 PHE HD2 H 1 7.117 0.008 . 1 . . . . . 45 PHE HD2 . 51187 1 568 . 1 . 1 48 48 PHE HE1 H 1 6.884 0.023 . 1 . . . . . 45 PHE HE1 . 51187 1 569 . 1 . 1 48 48 PHE HE2 H 1 6.884 0.023 . 1 . . . . . 45 PHE HE2 . 51187 1 570 . 1 . 1 48 48 PHE C C 13 178.020 0.000 . 1 . . . . . 45 PHE C . 51187 1 571 . 1 . 1 48 48 PHE CA C 13 61.667 0.093 . 1 . . . . . 45 PHE CA . 51187 1 572 . 1 . 1 48 48 PHE CB C 13 38.865 0.042 . 1 . . . . . 45 PHE CB . 51187 1 573 . 1 . 1 48 48 PHE CD1 C 13 131.402 0.041 . 1 . . . . . 45 PHE CD1 . 51187 1 574 . 1 . 1 48 48 PHE CD2 C 13 131.402 0.041 . 1 . . . . . 45 PHE CD2 . 51187 1 575 . 1 . 1 48 48 PHE CE1 C 13 118.222 0.156 . 1 . . . . . 45 PHE CE1 . 51187 1 576 . 1 . 1 48 48 PHE CE2 C 13 118.222 0.156 . 1 . . . . . 45 PHE CE2 . 51187 1 577 . 1 . 1 48 48 PHE N N 15 118.563 0.026 . 1 . . . . . 45 PHE N . 51187 1 578 . 1 . 1 49 49 LYS H H 1 8.124 0.011 . 1 . . . . . 46 LYS H . 51187 1 579 . 1 . 1 49 49 LYS HA H 1 3.961 0.020 . 1 . . . . . 46 LYS HA . 51187 1 580 . 1 . 1 49 49 LYS HB2 H 1 1.984 0.023 . 2 . . . . . 46 LYS HB2 . 51187 1 581 . 1 . 1 49 49 LYS HB3 H 1 1.889 0.010 . 2 . . . . . 46 LYS HB3 . 51187 1 582 . 1 . 1 49 49 LYS HG2 H 1 1.690 0.024 . 2 . . . . . 46 LYS HG2 . 51187 1 583 . 1 . 1 49 49 LYS HG3 H 1 1.674 0.011 . 2 . . . . . 46 LYS HG3 . 51187 1 584 . 1 . 1 49 49 LYS HE2 H 1 2.983 0.010 . 2 . . . . . 46 LYS HE2 . 51187 1 585 . 1 . 1 49 49 LYS HE3 H 1 3.003 0.020 . 2 . . . . . 46 LYS HE3 . 51187 1 586 . 1 . 1 49 49 LYS C C 13 177.215 0.000 . 1 . . . . . 46 LYS C . 51187 1 587 . 1 . 1 49 49 LYS CA C 13 60.083 0.290 . 1 . . . . . 46 LYS CA . 51187 1 588 . 1 . 1 49 49 LYS CB C 13 32.231 0.306 . 1 . . . . . 46 LYS CB . 51187 1 589 . 1 . 1 49 49 LYS CG C 13 25.320 0.028 . 1 . . . . . 46 LYS CG . 51187 1 590 . 1 . 1 49 49 LYS CD C 13 29.516 0.000 . 1 . . . . . 46 LYS CD . 51187 1 591 . 1 . 1 49 49 LYS CE C 13 42.210 0.059 . 1 . . . . . 46 LYS CE . 51187 1 592 . 1 . 1 49 49 LYS N N 15 121.284 0.178 . 1 . . . . . 46 LYS N . 51187 1 593 . 1 . 1 50 50 GLU H H 1 7.778 0.009 . 1 . . . . . 47 GLU H . 51187 1 594 . 1 . 1 50 50 GLU HA H 1 4.124 0.017 . 1 . . . . . 47 GLU HA . 51187 1 595 . 1 . 1 50 50 GLU HB2 H 1 2.155 0.019 . 2 . . . . . 47 GLU HB2 . 51187 1 596 . 1 . 1 50 50 GLU HB3 H 1 2.115 0.025 . 2 . . . . . 47 GLU HB3 . 51187 1 597 . 1 . 1 50 50 GLU HG2 H 1 2.374 0.006 . 2 . . . . . 47 GLU HG2 . 51187 1 598 . 1 . 1 50 50 GLU HG3 H 1 2.230 0.022 . 2 . . . . . 47 GLU HG3 . 51187 1 599 . 1 . 1 50 50 GLU C C 13 179.820 0.000 . 1 . . . . . 47 GLU C . 51187 1 600 . 1 . 1 50 50 GLU CA C 13 59.307 0.238 . 1 . . . . . 47 GLU CA . 51187 1 601 . 1 . 1 50 50 GLU CB C 13 29.446 0.278 . 1 . . . . . 47 GLU CB . 51187 1 602 . 1 . 1 50 50 GLU CG C 13 35.993 0.278 . 1 . . . . . 47 GLU CG . 51187 1 603 . 1 . 1 50 50 GLU N N 15 119.844 0.107 . 1 . . . . . 47 GLU N . 51187 1 604 . 1 . 1 51 51 ILE H H 1 8.093 0.011 . 1 . . . . . 48 ILE H . 51187 1 605 . 1 . 1 51 51 ILE HA H 1 3.702 0.006 . 1 . . . . . 48 ILE HA . 51187 1 606 . 1 . 1 51 51 ILE HB H 1 1.825 0.019 . 1 . . . . . 48 ILE HB . 51187 1 607 . 1 . 1 51 51 ILE HG12 H 1 1.267 0.009 . 1 . . . . . 48 ILE HG12 . 51187 1 608 . 1 . 1 51 51 ILE HG13 H 1 1.262 0.013 . 1 . . . . . 48 ILE HG13 . 51187 1 609 . 1 . 1 51 51 ILE HG21 H 1 0.981 0.022 . 1 . . . . . 48 ILE HG21 . 51187 1 610 . 1 . 1 51 51 ILE HG22 H 1 0.981 0.022 . 1 . . . . . 48 ILE HG22 . 51187 1 611 . 1 . 1 51 51 ILE HG23 H 1 0.981 0.022 . 1 . . . . . 48 ILE HG23 . 51187 1 612 . 1 . 1 51 51 ILE HD11 H 1 0.843 0.015 . 1 . . . . . 48 ILE HD11 . 51187 1 613 . 1 . 1 51 51 ILE HD12 H 1 0.843 0.015 . 1 . . . . . 48 ILE HD12 . 51187 1 614 . 1 . 1 51 51 ILE HD13 H 1 0.843 0.015 . 1 . . . . . 48 ILE HD13 . 51187 1 615 . 1 . 1 51 51 ILE C C 13 177.283 0.000 . 1 . . . . . 48 ILE C . 51187 1 616 . 1 . 1 51 51 ILE CA C 13 64.769 0.053 . 1 . . . . . 48 ILE CA . 51187 1 617 . 1 . 1 51 51 ILE CB C 13 38.192 0.046 . 1 . . . . . 48 ILE CB . 51187 1 618 . 1 . 1 51 51 ILE CG1 C 13 29.195 0.005 . 1 . . . . . 48 ILE CG1 . 51187 1 619 . 1 . 1 51 51 ILE CG2 C 13 19.048 0.209 . 1 . . . . . 48 ILE CG2 . 51187 1 620 . 1 . 1 51 51 ILE CD1 C 13 15.076 0.029 . 1 . . . . . 48 ILE CD1 . 51187 1 621 . 1 . 1 51 51 ILE N N 15 119.106 0.019 . 1 . . . . . 48 ILE N . 51187 1 622 . 1 . 1 52 52 SER H H 1 8.142 0.011 . 1 . . . . . 49 SER H . 51187 1 623 . 1 . 1 52 52 SER C C 13 176.086 0.000 . 1 . . . . . 49 SER C . 51187 1 624 . 1 . 1 52 52 SER CA C 13 62.519 0.057 . 1 . . . . . 49 SER CA . 51187 1 625 . 1 . 1 52 52 SER N N 15 116.854 0.046 . 1 . . . . . 49 SER N . 51187 1 626 . 1 . 1 53 53 GLU H H 1 7.943 0.013 . 1 . . . . . 50 GLU H . 51187 1 627 . 1 . 1 53 53 GLU HA H 1 3.974 0.019 . 1 . . . . . 50 GLU HA . 51187 1 628 . 1 . 1 53 53 GLU HB2 H 1 2.004 0.020 . 2 . . . . . 50 GLU HB2 . 51187 1 629 . 1 . 1 53 53 GLU HB3 H 1 1.990 0.022 . 2 . . . . . 50 GLU HB3 . 51187 1 630 . 1 . 1 53 53 GLU HG2 H 1 2.010 0.012 . 2 . . . . . 50 GLU HG2 . 51187 1 631 . 1 . 1 53 53 GLU HG3 H 1 2.223 0.018 . 2 . . . . . 50 GLU HG3 . 51187 1 632 . 1 . 1 53 53 GLU C C 13 179.152 0.000 . 1 . . . . . 50 GLU C . 51187 1 633 . 1 . 1 53 53 GLU CA C 13 58.990 0.501 . 1 . . . . . 50 GLU CA . 51187 1 634 . 1 . 1 53 53 GLU CB C 13 29.233 0.196 . 1 . . . . . 50 GLU CB . 51187 1 635 . 1 . 1 53 53 GLU CG C 13 36.307 0.194 . 1 . . . . . 50 GLU CG . 51187 1 636 . 1 . 1 53 53 GLU N N 15 122.806 0.049 . 1 . . . . . 50 GLU N . 51187 1 637 . 1 . 1 54 54 ALA H H 1 7.785 0.012 . 1 . . . . . 51 ALA H . 51187 1 638 . 1 . 1 54 54 ALA HA H 1 3.755 0.011 . 1 . . . . . 51 ALA HA . 51187 1 639 . 1 . 1 54 54 ALA HB1 H 1 1.508 0.017 . 1 . . . . . 51 ALA HB1 . 51187 1 640 . 1 . 1 54 54 ALA HB2 H 1 1.508 0.017 . 1 . . . . . 51 ALA HB2 . 51187 1 641 . 1 . 1 54 54 ALA HB3 H 1 1.508 0.017 . 1 . . . . . 51 ALA HB3 . 51187 1 642 . 1 . 1 54 54 ALA C C 13 178.233 0.000 . 1 . . . . . 51 ALA C . 51187 1 643 . 1 . 1 54 54 ALA CA C 13 55.208 0.052 . 1 . . . . . 51 ALA CA . 51187 1 644 . 1 . 1 54 54 ALA CB C 13 18.834 0.116 . 1 . . . . . 51 ALA CB . 51187 1 645 . 1 . 1 54 54 ALA N N 15 119.803 0.099 . 1 . . . . . 51 ALA N . 51187 1 646 . 1 . 1 55 55 PHE H H 1 7.978 0.009 . 1 . . . . . 52 PHE H . 51187 1 647 . 1 . 1 55 55 PHE HA H 1 3.794 0.011 . 1 . . . . . 52 PHE HA . 51187 1 648 . 1 . 1 55 55 PHE HB2 H 1 2.678 0.011 . 2 . . . . . 52 PHE HB2 . 51187 1 649 . 1 . 1 55 55 PHE HB3 H 1 2.513 0.011 . 2 . . . . . 52 PHE HB3 . 51187 1 650 . 1 . 1 55 55 PHE HD1 H 1 6.678 0.005 . 1 . . . . . 52 PHE HD1 . 51187 1 651 . 1 . 1 55 55 PHE HD2 H 1 6.678 0.005 . 1 . . . . . 52 PHE HD2 . 51187 1 652 . 1 . 1 55 55 PHE HE1 H 1 6.442 0.019 . 1 . . . . . 52 PHE HE1 . 51187 1 653 . 1 . 1 55 55 PHE HE2 H 1 6.442 0.019 . 1 . . . . . 52 PHE HE2 . 51187 1 654 . 1 . 1 55 55 PHE C C 13 175.438 0.000 . 1 . . . . . 52 PHE C . 51187 1 655 . 1 . 1 55 55 PHE CA C 13 61.578 0.074 . 1 . . . . . 52 PHE CA . 51187 1 656 . 1 . 1 55 55 PHE CB C 13 39.649 0.059 . 1 . . . . . 52 PHE CB . 51187 1 657 . 1 . 1 55 55 PHE CD1 C 13 131.187 0.298 . 1 . . . . . 52 PHE CD1 . 51187 1 658 . 1 . 1 55 55 PHE CD2 C 13 131.187 0.298 . 1 . . . . . 52 PHE CD2 . 51187 1 659 . 1 . 1 55 55 PHE CE1 C 13 117.514 0.045 . 1 . . . . . 52 PHE CE1 . 51187 1 660 . 1 . 1 55 55 PHE CE2 C 13 117.514 0.045 . 1 . . . . . 52 PHE CE2 . 51187 1 661 . 1 . 1 55 55 PHE N N 15 115.364 0.025 . 1 . . . . . 52 PHE N . 51187 1 662 . 1 . 1 56 56 GLU H H 1 8.057 0.178 . 1 . . . . . 53 GLU H . 51187 1 663 . 1 . 1 56 56 GLU HA H 1 3.550 0.013 . 1 . . . . . 53 GLU HA . 51187 1 664 . 1 . 1 56 56 GLU HB2 H 1 2.031 0.021 . 1 . . . . . 53 GLU HB2 . 51187 1 665 . 1 . 1 56 56 GLU HG2 H 1 2.232 0.019 . 2 . . . . . 53 GLU HG2 . 51187 1 666 . 1 . 1 56 56 GLU HG3 H 1 2.021 0.013 . 2 . . . . . 53 GLU HG3 . 51187 1 667 . 1 . 1 56 56 GLU C C 13 179.339 0.000 . 1 . . . . . 53 GLU C . 51187 1 668 . 1 . 1 56 56 GLU CA C 13 59.187 0.071 . 1 . . . . . 53 GLU CA . 51187 1 669 . 1 . 1 56 56 GLU CB C 13 29.067 0.288 . 1 . . . . . 53 GLU CB . 51187 1 670 . 1 . 1 56 56 GLU CG C 13 36.191 0.263 . 1 . . . . . 53 GLU CG . 51187 1 671 . 1 . 1 56 56 GLU N N 15 117.882 0.546 . 1 . . . . . 53 GLU N . 51187 1 672 . 1 . 1 57 57 ILE H H 1 7.812 0.015 . 1 . . . . . 54 ILE H . 51187 1 673 . 1 . 1 57 57 ILE HA H 1 3.473 0.007 . 1 . . . . . 54 ILE HA . 51187 1 674 . 1 . 1 57 57 ILE HB H 1 1.420 0.014 . 1 . . . . . 54 ILE HB . 51187 1 675 . 1 . 1 57 57 ILE HG12 H 1 0.790 0.016 . 2 . . . . . 54 ILE HG12 . 51187 1 676 . 1 . 1 57 57 ILE HG13 H 1 1.729 0.018 . 2 . . . . . 54 ILE HG13 . 51187 1 677 . 1 . 1 57 57 ILE HG21 H 1 0.308 0.004 . 1 . . . . . 54 ILE HG21 . 51187 1 678 . 1 . 1 57 57 ILE HG22 H 1 0.308 0.004 . 1 . . . . . 54 ILE HG22 . 51187 1 679 . 1 . 1 57 57 ILE HG23 H 1 0.308 0.004 . 1 . . . . . 54 ILE HG23 . 51187 1 680 . 1 . 1 57 57 ILE HD11 H 1 0.572 0.013 . 1 . . . . . 54 ILE HD11 . 51187 1 681 . 1 . 1 57 57 ILE HD12 H 1 0.572 0.013 . 1 . . . . . 54 ILE HD12 . 51187 1 682 . 1 . 1 57 57 ILE HD13 H 1 0.572 0.013 . 1 . . . . . 54 ILE HD13 . 51187 1 683 . 1 . 1 57 57 ILE C C 13 175.728 0.000 . 1 . . . . . 54 ILE C . 51187 1 684 . 1 . 1 57 57 ILE CA C 13 64.884 0.040 . 1 . . . . . 54 ILE CA . 51187 1 685 . 1 . 1 57 57 ILE CB C 13 37.896 0.055 . 1 . . . . . 54 ILE CB . 51187 1 686 . 1 . 1 57 57 ILE CG1 C 13 29.743 0.162 . 1 . . . . . 54 ILE CG1 . 51187 1 687 . 1 . 1 57 57 ILE CG2 C 13 16.915 0.011 . 1 . . . . . 54 ILE CG2 . 51187 1 688 . 1 . 1 57 57 ILE CD1 C 13 13.553 0.014 . 1 . . . . . 54 ILE CD1 . 51187 1 689 . 1 . 1 57 57 ILE N N 15 117.315 0.221 . 1 . . . . . 54 ILE N . 51187 1 690 . 1 . 1 58 58 LEU H H 1 7.650 0.007 . 1 . . . . . 55 LEU H . 51187 1 691 . 1 . 1 58 58 LEU HA H 1 3.630 0.011 . 1 . . . . . 55 LEU HA . 51187 1 692 . 1 . 1 58 58 LEU HB2 H 1 1.481 0.013 . 2 . . . . . 55 LEU HB2 . 51187 1 693 . 1 . 1 58 58 LEU HB3 H 1 1.012 0.015 . 2 . . . . . 55 LEU HB3 . 51187 1 694 . 1 . 1 58 58 LEU HD11 H 1 0.061 0.000 . 2 . . . . . 55 LEU HD11 . 51187 1 695 . 1 . 1 58 58 LEU HD12 H 1 0.061 0.009 . 1 . . . . . 55 LEU HD12 . 51187 1 696 . 1 . 1 58 58 LEU HD13 H 1 0.061 0.000 . 2 . . . . . 55 LEU HD13 . 51187 1 697 . 1 . 1 58 58 LEU HD21 H 1 0.216 0.010 . 2 . . . . . 55 LEU HD21 . 51187 1 698 . 1 . 1 58 58 LEU HD22 H 1 0.216 0.010 . 2 . . . . . 55 LEU HD22 . 51187 1 699 . 1 . 1 58 58 LEU HD23 H 1 0.216 0.010 . 2 . . . . . 55 LEU HD23 . 51187 1 700 . 1 . 1 58 58 LEU C C 13 177.174 0.000 . 1 . . . . . 55 LEU C . 51187 1 701 . 1 . 1 58 58 LEU CA C 13 56.668 0.033 . 1 . . . . . 55 LEU CA . 51187 1 702 . 1 . 1 58 58 LEU CB C 13 42.359 0.161 . 1 . . . . . 55 LEU CB . 51187 1 703 . 1 . 1 58 58 LEU CD1 C 13 25.456 0.000 . 2 . . . . . 55 LEU CD1 . 51187 1 704 . 1 . 1 58 58 LEU CD2 C 13 22.750 0.000 . 2 . . . . . 55 LEU CD2 . 51187 1 705 . 1 . 1 58 58 LEU N N 15 112.556 0.015 . 1 . . . . . 55 LEU N . 51187 1 706 . 1 . 1 59 59 ASN H H 1 8.162 0.006 . 1 . . . . . 56 ASN H . 51187 1 707 . 1 . 1 59 59 ASN HA H 1 4.242 0.004 . 1 . . . . . 56 ASN HA . 51187 1 708 . 1 . 1 59 59 ASN HB2 H 1 1.879 0.014 . 2 . . . . . 56 ASN HB2 . 51187 1 709 . 1 . 1 59 59 ASN HB3 H 1 1.286 0.011 . 2 . . . . . 56 ASN HB3 . 51187 1 710 . 1 . 1 59 59 ASN C C 13 173.992 0.000 . 1 . . . . . 56 ASN C . 51187 1 711 . 1 . 1 59 59 ASN CA C 13 53.204 0.032 . 1 . . . . . 56 ASN CA . 51187 1 712 . 1 . 1 59 59 ASN CB C 13 39.396 0.042 . 1 . . . . . 56 ASN CB . 51187 1 713 . 1 . 1 59 59 ASN N N 15 113.158 0.010 . 1 . . . . . 56 ASN N . 51187 1 714 . 1 . 1 60 60 ASP H H 1 6.960 0.010 . 1 . . . . . 57 ASP H . 51187 1 715 . 1 . 1 60 60 ASP HA H 1 4.987 0.018 . 1 . . . . . 57 ASP HA . 51187 1 716 . 1 . 1 60 60 ASP HB2 H 1 2.510 0.005 . 2 . . . . . 57 ASP HB2 . 51187 1 717 . 1 . 1 60 60 ASP HB3 H 1 3.082 0.019 . 2 . . . . . 57 ASP HB3 . 51187 1 718 . 1 . 1 60 60 ASP CA C 13 50.322 0.323 . 1 . . . . . 57 ASP CA . 51187 1 719 . 1 . 1 60 60 ASP CB C 13 42.427 0.174 . 1 . . . . . 57 ASP CB . 51187 1 720 . 1 . 1 60 60 ASP N N 15 120.613 0.026 . 1 . . . . . 57 ASP N . 51187 1 721 . 1 . 1 61 61 PRO HA H 1 4.171 0.010 . 1 . . . . . 58 PRO HA . 51187 1 722 . 1 . 1 61 61 PRO HB2 H 1 2.403 0.014 . 2 . . . . . 58 PRO HB2 . 51187 1 723 . 1 . 1 61 61 PRO HB3 H 1 2.003 0.023 . 2 . . . . . 58 PRO HB3 . 51187 1 724 . 1 . 1 61 61 PRO HG2 H 1 2.139 0.016 . 2 . . . . . 58 PRO HG2 . 51187 1 725 . 1 . 1 61 61 PRO HG3 H 1 2.030 0.014 . 2 . . . . . 58 PRO HG3 . 51187 1 726 . 1 . 1 61 61 PRO HD2 H 1 3.818 0.013 . 2 . . . . . 58 PRO HD2 . 51187 1 727 . 1 . 1 61 61 PRO HD3 H 1 4.067 0.012 . 2 . . . . . 58 PRO HD3 . 51187 1 728 . 1 . 1 61 61 PRO C C 13 179.554 0.000 . 1 . . . . . 58 PRO C . 51187 1 729 . 1 . 1 61 61 PRO CA C 13 65.453 0.043 . 1 . . . . . 58 PRO CA . 51187 1 730 . 1 . 1 61 61 PRO CB C 13 32.349 0.148 . 1 . . . . . 58 PRO CB . 51187 1 731 . 1 . 1 61 61 PRO CG C 13 27.746 0.133 . 1 . . . . . 58 PRO CG . 51187 1 732 . 1 . 1 61 61 PRO CD C 13 50.558 0.037 . 1 . . . . . 58 PRO CD . 51187 1 733 . 1 . 1 62 62 GLN H H 1 7.876 0.009 . 1 . . . . . 59 GLN H . 51187 1 734 . 1 . 1 62 62 GLN HA H 1 4.255 0.009 . 1 . . . . . 59 GLN HA . 51187 1 735 . 1 . 1 62 62 GLN HB2 H 1 2.198 0.032 . 2 . . . . . 59 GLN HB2 . 51187 1 736 . 1 . 1 62 62 GLN HB3 H 1 2.147 0.000 . 2 . . . . . 59 GLN HB3 . 51187 1 737 . 1 . 1 62 62 GLN HG2 H 1 2.379 0.009 . 2 . . . . . 59 GLN HG2 . 51187 1 738 . 1 . 1 62 62 GLN HG3 H 1 2.490 0.024 . 2 . . . . . 59 GLN HG3 . 51187 1 739 . 1 . 1 62 62 GLN C C 13 178.989 0.000 . 1 . . . . . 59 GLN C . 51187 1 740 . 1 . 1 62 62 GLN CA C 13 58.972 0.115 . 1 . . . . . 59 GLN CA . 51187 1 741 . 1 . 1 62 62 GLN CB C 13 29.038 0.240 . 1 . . . . . 59 GLN CB . 51187 1 742 . 1 . 1 62 62 GLN CG C 13 34.814 0.230 . 1 . . . . . 59 GLN CG . 51187 1 743 . 1 . 1 62 62 GLN N N 15 115.788 0.016 . 1 . . . . . 59 GLN N . 51187 1 744 . 1 . 1 63 63 LYS H H 1 7.967 0.011 . 1 . . . . . 60 LYS H . 51187 1 745 . 1 . 1 63 63 LYS HA H 1 4.037 0.019 . 1 . . . . . 60 LYS HA . 51187 1 746 . 1 . 1 63 63 LYS HB2 H 1 2.416 0.012 . 2 . . . . . 60 LYS HB2 . 51187 1 747 . 1 . 1 63 63 LYS HB3 H 1 1.757 0.015 . 2 . . . . . 60 LYS HB3 . 51187 1 748 . 1 . 1 63 63 LYS HG2 H 1 1.426 0.015 . 2 . . . . . 60 LYS HG2 . 51187 1 749 . 1 . 1 63 63 LYS HG3 H 1 1.592 0.013 . 2 . . . . . 60 LYS HG3 . 51187 1 750 . 1 . 1 63 63 LYS HD2 H 1 1.689 0.025 . 2 . . . . . 60 LYS HD2 . 51187 1 751 . 1 . 1 63 63 LYS HD3 H 1 1.729 0.028 . 2 . . . . . 60 LYS HD3 . 51187 1 752 . 1 . 1 63 63 LYS HE2 H 1 2.991 0.019 . 1 . . . . . 60 LYS HE2 . 51187 1 753 . 1 . 1 63 63 LYS HE3 H 1 2.991 0.020 . 1 . . . . . 60 LYS HE3 . 51187 1 754 . 1 . 1 63 63 LYS C C 13 178.594 0.000 . 1 . . . . . 60 LYS C . 51187 1 755 . 1 . 1 63 63 LYS CA C 13 60.000 0.273 . 1 . . . . . 60 LYS CA . 51187 1 756 . 1 . 1 63 63 LYS CB C 13 32.763 0.336 . 1 . . . . . 60 LYS CB . 51187 1 757 . 1 . 1 63 63 LYS CG C 13 26.477 0.105 . 1 . . . . . 60 LYS CG . 51187 1 758 . 1 . 1 63 63 LYS CD C 13 29.677 0.099 . 1 . . . . . 60 LYS CD . 51187 1 759 . 1 . 1 63 63 LYS CE C 13 42.205 0.035 . 1 . . . . . 60 LYS CE . 51187 1 760 . 1 . 1 63 63 LYS N N 15 120.980 0.184 . 1 . . . . . 60 LYS N . 51187 1 761 . 1 . 1 64 64 ARG H H 1 9.282 0.006 . 1 . . . . . 61 ARG H . 51187 1 762 . 1 . 1 64 64 ARG HA H 1 3.678 0.010 . 1 . . . . . 61 ARG HA . 51187 1 763 . 1 . 1 64 64 ARG HB2 H 1 1.767 0.011 . 2 . . . . . 61 ARG HB2 . 51187 1 764 . 1 . 1 64 64 ARG HB3 H 1 2.244 0.012 . 2 . . . . . 61 ARG HB3 . 51187 1 765 . 1 . 1 64 64 ARG HG2 H 1 1.886 0.012 . 2 . . . . . 61 ARG HG2 . 51187 1 766 . 1 . 1 64 64 ARG HG3 H 1 1.789 0.013 . 2 . . . . . 61 ARG HG3 . 51187 1 767 . 1 . 1 64 64 ARG HD2 H 1 3.181 0.006 . 1 . . . . . 61 ARG HD2 . 51187 1 768 . 1 . 1 64 64 ARG HD3 H 1 3.181 0.007 . 1 . . . . . 61 ARG HD3 . 51187 1 769 . 1 . 1 64 64 ARG C C 13 177.531 0.000 . 1 . . . . . 61 ARG C . 51187 1 770 . 1 . 1 64 64 ARG CA C 13 60.404 0.031 . 1 . . . . . 61 ARG CA . 51187 1 771 . 1 . 1 64 64 ARG CB C 13 29.710 0.170 . 1 . . . . . 61 ARG CB . 51187 1 772 . 1 . 1 64 64 ARG CG C 13 26.371 0.093 . 1 . . . . . 61 ARG CG . 51187 1 773 . 1 . 1 64 64 ARG CD C 13 43.662 0.286 . 1 . . . . . 61 ARG CD . 51187 1 774 . 1 . 1 64 64 ARG N N 15 121.930 0.017 . 1 . . . . . 61 ARG N . 51187 1 775 . 1 . 1 65 65 GLU H H 1 7.430 0.011 . 1 . . . . . 62 GLU H . 51187 1 776 . 1 . 1 65 65 GLU HA H 1 4.225 0.019 . 1 . . . . . 62 GLU HA . 51187 1 777 . 1 . 1 65 65 GLU HB2 H 1 2.236 0.010 . 2 . . . . . 62 GLU HB2 . 51187 1 778 . 1 . 1 65 65 GLU HB3 H 1 2.155 0.018 . 2 . . . . . 62 GLU HB3 . 51187 1 779 . 1 . 1 65 65 GLU HG2 H 1 2.381 0.008 . 2 . . . . . 62 GLU HG2 . 51187 1 780 . 1 . 1 65 65 GLU HG3 H 1 2.503 0.018 . 2 . . . . . 62 GLU HG3 . 51187 1 781 . 1 . 1 65 65 GLU C C 13 179.537 0.000 . 1 . . . . . 62 GLU C . 51187 1 782 . 1 . 1 65 65 GLU CA C 13 59.314 0.214 . 1 . . . . . 62 GLU CA . 51187 1 783 . 1 . 1 65 65 GLU CB C 13 29.279 0.194 . 1 . . . . . 62 GLU CB . 51187 1 784 . 1 . 1 65 65 GLU CG C 13 35.497 0.409 . 1 . . . . . 62 GLU CG . 51187 1 785 . 1 . 1 65 65 GLU N N 15 116.894 0.020 . 1 . . . . . 62 GLU N . 51187 1 786 . 1 . 1 66 66 ILE H H 1 7.442 0.006 . 1 . . . . . 63 ILE H . 51187 1 787 . 1 . 1 66 66 ILE HA H 1 3.939 0.006 . 1 . . . . . 63 ILE HA . 51187 1 788 . 1 . 1 66 66 ILE HB H 1 2.030 0.012 . 1 . . . . . 63 ILE HB . 51187 1 789 . 1 . 1 66 66 ILE HG12 H 1 1.291 0.011 . 2 . . . . . 63 ILE HG12 . 51187 1 790 . 1 . 1 66 66 ILE HG13 H 1 1.899 0.010 . 2 . . . . . 63 ILE HG13 . 51187 1 791 . 1 . 1 66 66 ILE HG21 H 1 0.869 0.009 . 1 . . . . . 63 ILE HG21 . 51187 1 792 . 1 . 1 66 66 ILE HG22 H 1 0.869 0.009 . 1 . . . . . 63 ILE HG22 . 51187 1 793 . 1 . 1 66 66 ILE HG23 H 1 0.869 0.009 . 1 . . . . . 63 ILE HG23 . 51187 1 794 . 1 . 1 66 66 ILE HD11 H 1 0.860 0.013 . 1 . . . . . 63 ILE HD11 . 51187 1 795 . 1 . 1 66 66 ILE HD12 H 1 0.860 0.013 . 1 . . . . . 63 ILE HD12 . 51187 1 796 . 1 . 1 66 66 ILE HD13 H 1 0.860 0.013 . 1 . . . . . 63 ILE HD13 . 51187 1 797 . 1 . 1 66 66 ILE C C 13 178.088 0.000 . 1 . . . . . 63 ILE C . 51187 1 798 . 1 . 1 66 66 ILE CA C 13 64.683 0.062 . 1 . . . . . 63 ILE CA . 51187 1 799 . 1 . 1 66 66 ILE CB C 13 38.035 0.059 . 1 . . . . . 63 ILE CB . 51187 1 800 . 1 . 1 66 66 ILE CG1 C 13 28.603 0.263 . 1 . . . . . 63 ILE CG1 . 51187 1 801 . 1 . 1 66 66 ILE CG2 C 13 17.609 0.043 . 1 . . . . . 63 ILE CG2 . 51187 1 802 . 1 . 1 66 66 ILE CD1 C 13 12.679 0.031 . 1 . . . . . 63 ILE CD1 . 51187 1 803 . 1 . 1 66 66 ILE N N 15 119.017 0.019 . 1 . . . . . 63 ILE N . 51187 1 804 . 1 . 1 67 67 TYR H H 1 9.140 0.007 . 1 . . . . . 64 TYR H . 51187 1 805 . 1 . 1 67 67 TYR HA H 1 4.136 0.010 . 1 . . . . . 64 TYR HA . 51187 1 806 . 1 . 1 67 67 TYR HB2 H 1 3.124 0.013 . 2 . . . . . 64 TYR HB2 . 51187 1 807 . 1 . 1 67 67 TYR HB3 H 1 2.783 0.011 . 2 . . . . . 64 TYR HB3 . 51187 1 808 . 1 . 1 67 67 TYR HD1 H 1 6.981 0.013 . 1 . . . . . 64 TYR HD1 . 51187 1 809 . 1 . 1 67 67 TYR HD2 H 1 6.981 0.013 . 1 . . . . . 64 TYR HD2 . 51187 1 810 . 1 . 1 67 67 TYR HE1 H 1 6.848 0.008 . 1 . . . . . 64 TYR HE1 . 51187 1 811 . 1 . 1 67 67 TYR HE2 H 1 6.848 0.008 . 1 . . . . . 64 TYR HE2 . 51187 1 812 . 1 . 1 67 67 TYR C C 13 179.319 0.000 . 1 . . . . . 64 TYR C . 51187 1 813 . 1 . 1 67 67 TYR CA C 13 61.463 0.059 . 1 . . . . . 64 TYR CA . 51187 1 814 . 1 . 1 67 67 TYR CB C 13 38.174 0.153 . 1 . . . . . 64 TYR CB . 51187 1 815 . 1 . 1 67 67 TYR CD1 C 13 132.932 0.095 . 1 . . . . . 64 TYR CD1 . 51187 1 816 . 1 . 1 67 67 TYR CD2 C 13 132.932 0.095 . 1 . . . . . 64 TYR CD2 . 51187 1 817 . 1 . 1 67 67 TYR CE1 C 13 120.154 0.029 . 1 . . . . . 64 TYR CE1 . 51187 1 818 . 1 . 1 67 67 TYR CE2 C 13 120.154 0.029 . 1 . . . . . 64 TYR CE2 . 51187 1 819 . 1 . 1 67 67 TYR N N 15 121.678 0.019 . 1 . . . . . 64 TYR N . 51187 1 820 . 1 . 1 68 68 ASP H H 1 9.278 0.010 . 1 . . . . . 65 ASP H . 51187 1 821 . 1 . 1 68 68 ASP HA H 1 4.643 0.018 . 1 . . . . . 65 ASP HA . 51187 1 822 . 1 . 1 68 68 ASP HB2 H 1 2.808 0.009 . 2 . . . . . 65 ASP HB2 . 51187 1 823 . 1 . 1 68 68 ASP HB3 H 1 2.663 0.008 . 2 . . . . . 65 ASP HB3 . 51187 1 824 . 1 . 1 68 68 ASP C C 13 177.496 0.000 . 1 . . . . . 65 ASP C . 51187 1 825 . 1 . 1 68 68 ASP CA C 13 56.985 0.183 . 1 . . . . . 65 ASP CA . 51187 1 826 . 1 . 1 68 68 ASP CB C 13 40.479 0.055 . 1 . . . . . 65 ASP CB . 51187 1 827 . 1 . 1 68 68 ASP N N 15 121.953 0.041 . 1 . . . . . 65 ASP N . 51187 1 828 . 1 . 1 69 69 GLN H H 1 7.392 0.006 . 1 . . . . . 66 GLN H . 51187 1 829 . 1 . 1 69 69 GLN HA H 1 4.071 0.002 . 1 . . . . . 66 GLN HA . 51187 1 830 . 1 . 1 69 69 GLN HB2 H 1 1.679 0.011 . 2 . . . . . 66 GLN HB2 . 51187 1 831 . 1 . 1 69 69 GLN HB3 H 1 1.247 0.010 . 2 . . . . . 66 GLN HB3 . 51187 1 832 . 1 . 1 69 69 GLN HG2 H 1 2.114 0.009 . 1 . . . . . 66 GLN HG2 . 51187 1 833 . 1 . 1 69 69 GLN HG3 H 1 2.114 0.009 . 1 . . . . . 66 GLN HG3 . 51187 1 834 . 1 . 1 69 69 GLN C C 13 177.239 0.000 . 1 . . . . . 66 GLN C . 51187 1 835 . 1 . 1 69 69 GLN CA C 13 57.709 0.022 . 1 . . . . . 66 GLN CA . 51187 1 836 . 1 . 1 69 69 GLN CB C 13 30.580 0.049 . 1 . . . . . 66 GLN CB . 51187 1 837 . 1 . 1 69 69 GLN CG C 13 33.807 0.000 . 1 . . . . . 66 GLN CG . 51187 1 838 . 1 . 1 69 69 GLN N N 15 114.822 0.011 . 1 . . . . . 66 GLN N . 51187 1 839 . 1 . 1 70 70 TYR H H 1 8.867 0.008 . 1 . . . . . 67 TYR H . 51187 1 840 . 1 . 1 70 70 TYR HA H 1 4.797 0.014 . 1 . . . . . 67 TYR HA . 51187 1 841 . 1 . 1 70 70 TYR HB2 H 1 3.162 0.008 . 2 . . . . . 67 TYR HB2 . 51187 1 842 . 1 . 1 70 70 TYR HB3 H 1 3.161 0.011 . 1 . . . . . 67 TYR HB3 . 51187 1 843 . 1 . 1 70 70 TYR HD1 H 1 7.258 0.020 . 1 . . . . . 67 TYR HD1 . 51187 1 844 . 1 . 1 70 70 TYR HD2 H 1 7.258 0.020 . 1 . . . . . 67 TYR HD2 . 51187 1 845 . 1 . 1 70 70 TYR HE1 H 1 6.850 0.017 . 1 . . . . . 67 TYR HE1 . 51187 1 846 . 1 . 1 70 70 TYR HE2 H 1 6.850 0.017 . 1 . . . . . 67 TYR HE2 . 51187 1 847 . 1 . 1 70 70 TYR C C 13 177.311 0.000 . 1 . . . . . 67 TYR C . 51187 1 848 . 1 . 1 70 70 TYR CA C 13 58.228 0.033 . 1 . . . . . 67 TYR CA . 51187 1 849 . 1 . 1 70 70 TYR CB C 13 41.385 0.029 . 1 . . . . . 67 TYR CB . 51187 1 850 . 1 . 1 70 70 TYR CD1 C 13 131.538 0.139 . 1 . . . . . 67 TYR CD1 . 51187 1 851 . 1 . 1 70 70 TYR CD2 C 13 131.538 0.139 . 1 . . . . . 67 TYR CD2 . 51187 1 852 . 1 . 1 70 70 TYR CE1 C 13 118.371 0.081 . 1 . . . . . 67 TYR CE1 . 51187 1 853 . 1 . 1 70 70 TYR CE2 C 13 118.371 0.081 . 1 . . . . . 67 TYR CE2 . 51187 1 854 . 1 . 1 70 70 TYR N N 15 113.717 0.018 . 1 . . . . . 67 TYR N . 51187 1 855 . 1 . 1 71 71 GLY H H 1 8.756 0.005 . 1 . . . . . 68 GLY H . 51187 1 856 . 1 . 1 71 71 GLY HA2 H 1 4.498 0.007 . 2 . . . . . 68 GLY HA2 . 51187 1 857 . 1 . 1 71 71 GLY HA3 H 1 3.391 0.004 . 2 . . . . . 68 GLY HA3 . 51187 1 858 . 1 . 1 71 71 GLY C C 13 174.076 0.000 . 1 . . . . . 68 GLY C . 51187 1 859 . 1 . 1 71 71 GLY CA C 13 44.458 0.061 . 1 . . . . . 68 GLY CA . 51187 1 860 . 1 . 1 71 71 GLY N N 15 112.291 0.023 . 1 . . . . . 68 GLY N . 51187 1 861 . 1 . 1 72 72 LEU H H 1 8.682 0.005 . 1 . . . . . 69 LEU H . 51187 1 862 . 1 . 1 72 72 LEU HA H 1 4.143 0.010 . 1 . . . . . 69 LEU HA . 51187 1 863 . 1 . 1 72 72 LEU HB2 H 1 2.110 0.014 . 2 . . . . . 69 LEU HB2 . 51187 1 864 . 1 . 1 72 72 LEU HB3 H 1 1.906 0.013 . 2 . . . . . 69 LEU HB3 . 51187 1 865 . 1 . 1 72 72 LEU HG H 1 1.390 0.013 . 1 . . . . . 69 LEU HG . 51187 1 866 . 1 . 1 72 72 LEU HD11 H 1 0.861 0.012 . 1 . . . . . 69 LEU HD11 . 51187 1 867 . 1 . 1 72 72 LEU HD12 H 1 0.861 0.012 . 1 . . . . . 69 LEU HD12 . 51187 1 868 . 1 . 1 72 72 LEU HD13 H 1 0.861 0.012 . 1 . . . . . 69 LEU HD13 . 51187 1 869 . 1 . 1 72 72 LEU HD21 H 1 0.862 0.013 . 1 . . . . . 69 LEU HD21 . 51187 1 870 . 1 . 1 72 72 LEU HD22 H 1 0.862 0.013 . 1 . . . . . 69 LEU HD22 . 51187 1 871 . 1 . 1 72 72 LEU HD23 H 1 0.862 0.013 . 1 . . . . . 69 LEU HD23 . 51187 1 872 . 1 . 1 72 72 LEU C C 13 177.669 0.000 . 1 . . . . . 69 LEU C . 51187 1 873 . 1 . 1 72 72 LEU CA C 13 59.357 0.061 . 1 . . . . . 69 LEU CA . 51187 1 874 . 1 . 1 72 72 LEU CB C 13 43.336 0.158 . 1 . . . . . 69 LEU CB . 51187 1 875 . 1 . 1 72 72 LEU CG C 13 25.895 0.000 . 1 . . . . . 69 LEU CG . 51187 1 876 . 1 . 1 72 72 LEU CD2 C 13 23.578 0.036 . 1 . . . . . 69 LEU CD2 . 51187 1 877 . 1 . 1 72 72 LEU N N 15 119.668 0.014 . 1 . . . . . 69 LEU N . 51187 1 878 . 1 . 1 73 73 GLU H H 1 8.632 0.004 . 1 . . . . . 70 GLU H . 51187 1 879 . 1 . 1 73 73 GLU HA H 1 3.994 0.028 . 1 . . . . . 70 GLU HA . 51187 1 880 . 1 . 1 73 73 GLU HB2 H 1 2.007 0.015 . 2 . . . . . 70 GLU HB2 . 51187 1 881 . 1 . 1 73 73 GLU HB3 H 1 1.433 0.019 . 2 . . . . . 70 GLU HB3 . 51187 1 882 . 1 . 1 73 73 GLU HG2 H 1 2.373 0.010 . 2 . . . . . 70 GLU HG2 . 51187 1 883 . 1 . 1 73 73 GLU HG3 H 1 2.520 0.025 . 2 . . . . . 70 GLU HG3 . 51187 1 884 . 1 . 1 73 73 GLU C C 13 179.765 0.000 . 1 . . . . . 70 GLU C . 51187 1 885 . 1 . 1 73 73 GLU CA C 13 59.978 0.261 . 1 . . . . . 70 GLU CA . 51187 1 886 . 1 . 1 73 73 GLU CB C 13 28.148 0.098 . 1 . . . . . 70 GLU CB . 51187 1 887 . 1 . 1 73 73 GLU CG C 13 35.965 0.308 . 1 . . . . . 70 GLU CG . 51187 1 888 . 1 . 1 73 73 GLU N N 15 117.939 0.021 . 1 . . . . . 70 GLU N . 51187 1 889 . 1 . 1 74 74 ALA H H 1 8.336 0.005 . 1 . . . . . 71 ALA H . 51187 1 890 . 1 . 1 74 74 ALA HA H 1 4.014 0.021 . 1 . . . . . 71 ALA HA . 51187 1 891 . 1 . 1 74 74 ALA HB1 H 1 1.145 0.010 . 1 . . . . . 71 ALA HB1 . 51187 1 892 . 1 . 1 74 74 ALA HB2 H 1 1.145 0.010 . 1 . . . . . 71 ALA HB2 . 51187 1 893 . 1 . 1 74 74 ALA HB3 H 1 1.145 0.010 . 1 . . . . . 71 ALA HB3 . 51187 1 894 . 1 . 1 74 74 ALA C C 13 179.547 0.000 . 1 . . . . . 71 ALA C . 51187 1 895 . 1 . 1 74 74 ALA CA C 13 54.505 0.292 . 1 . . . . . 71 ALA CA . 51187 1 896 . 1 . 1 74 74 ALA CB C 13 19.341 0.049 . 1 . . . . . 71 ALA CB . 51187 1 897 . 1 . 1 74 74 ALA N N 15 121.615 0.145 . 1 . . . . . 71 ALA N . 51187 1 898 . 1 . 1 75 75 ALA H H 1 7.977 0.009 . 1 . . . . . 72 ALA H . 51187 1 899 . 1 . 1 75 75 ALA HA H 1 3.980 0.027 . 1 . . . . . 72 ALA HA . 51187 1 900 . 1 . 1 75 75 ALA HB1 H 1 1.541 0.015 . 1 . . . . . 72 ALA HB1 . 51187 1 901 . 1 . 1 75 75 ALA HB2 H 1 1.541 0.015 . 1 . . . . . 72 ALA HB2 . 51187 1 902 . 1 . 1 75 75 ALA HB3 H 1 1.541 0.015 . 1 . . . . . 72 ALA HB3 . 51187 1 903 . 1 . 1 75 75 ALA C C 13 179.119 0.000 . 1 . . . . . 72 ALA C . 51187 1 904 . 1 . 1 75 75 ALA CA C 13 54.977 0.231 . 1 . . . . . 72 ALA CA . 51187 1 905 . 1 . 1 75 75 ALA CB C 13 18.690 0.114 . 1 . . . . . 72 ALA CB . 51187 1 906 . 1 . 1 75 75 ALA N N 15 120.528 0.189 . 1 . . . . . 72 ALA N . 51187 1 907 . 1 . 1 76 76 ARG H H 1 8.240 0.009 . 1 . . . . . 73 ARG H . 51187 1 908 . 1 . 1 76 76 ARG HA H 1 4.033 0.019 . 1 . . . . . 73 ARG HA . 51187 1 909 . 1 . 1 76 76 ARG HB2 H 1 1.887 0.008 . 1 . . . . . 73 ARG HB2 . 51187 1 910 . 1 . 1 76 76 ARG HB3 H 1 1.889 0.007 . 1 . . . . . 73 ARG HB3 . 51187 1 911 . 1 . 1 76 76 ARG HG2 H 1 1.770 0.014 . 2 . . . . . 73 ARG HG2 . 51187 1 912 . 1 . 1 76 76 ARG HG3 H 1 1.584 0.018 . 2 . . . . . 73 ARG HG3 . 51187 1 913 . 1 . 1 76 76 ARG HD2 H 1 3.011 0.010 . 2 . . . . . 73 ARG HD2 . 51187 1 914 . 1 . 1 76 76 ARG HD3 H 1 3.183 0.003 . 2 . . . . . 73 ARG HD3 . 51187 1 915 . 1 . 1 76 76 ARG C C 13 177.981 0.000 . 1 . . . . . 73 ARG C . 51187 1 916 . 1 . 1 76 76 ARG CA C 13 58.559 0.211 . 1 . . . . . 73 ARG CA . 51187 1 917 . 1 . 1 76 76 ARG CB C 13 31.690 0.304 . 1 . . . . . 73 ARG CB . 51187 1 918 . 1 . 1 76 76 ARG CG C 13 27.691 0.075 . 1 . . . . . 73 ARG CG . 51187 1 919 . 1 . 1 76 76 ARG CD C 13 43.877 0.317 . 1 . . . . . 73 ARG CD . 51187 1 920 . 1 . 1 76 76 ARG N N 15 116.148 0.238 . 1 . . . . . 73 ARG N . 51187 1 921 . 1 . 1 77 77 SER H H 1 7.766 0.009 . 1 . . . . . 74 SER H . 51187 1 922 . 1 . 1 77 77 SER HA H 1 4.446 0.012 . 1 . . . . . 74 SER HA . 51187 1 923 . 1 . 1 77 77 SER HB2 H 1 3.976 0.021 . 2 . . . . . 74 SER HB2 . 51187 1 924 . 1 . 1 77 77 SER HB3 H 1 3.957 0.025 . 2 . . . . . 74 SER HB3 . 51187 1 925 . 1 . 1 77 77 SER C C 13 174.920 0.000 . 1 . . . . . 74 SER C . 51187 1 926 . 1 . 1 77 77 SER CA C 13 59.349 0.055 . 1 . . . . . 74 SER CA . 51187 1 927 . 1 . 1 77 77 SER CB C 13 64.110 0.085 . 1 . . . . . 74 SER CB . 51187 1 928 . 1 . 1 77 77 SER N N 15 112.888 0.033 . 1 . . . . . 74 SER N . 51187 1 929 . 1 . 1 78 78 GLY H H 1 8.036 0.007 . 1 . . . . . 75 GLY H . 51187 1 930 . 1 . 1 78 78 GLY HA2 H 1 4.141 0.017 . 2 . . . . . 75 GLY HA2 . 51187 1 931 . 1 . 1 78 78 GLY HA3 H 1 3.773 0.006 . 2 . . . . . 75 GLY HA3 . 51187 1 932 . 1 . 1 78 78 GLY C C 13 173.914 0.000 . 1 . . . . . 75 GLY C . 51187 1 933 . 1 . 1 78 78 GLY CA C 13 59.321 0.172 . 1 . . . . . 75 GLY CA . 51187 1 934 . 1 . 1 78 78 GLY N N 15 109.796 0.016 . 1 . . . . . 75 GLY N . 51187 1 935 . 1 . 1 79 79 GLY H H 1 8.170 0.008 . 1 . . . . . 76 GLY H . 51187 1 936 . 1 . 1 79 79 GLY HA2 H 1 4.209 0.008 . 2 . . . . . 76 GLY HA2 . 51187 1 937 . 1 . 1 79 79 GLY HA3 H 1 3.802 0.012 . 2 . . . . . 76 GLY HA3 . 51187 1 938 . 1 . 1 79 79 GLY CA C 13 44.550 0.052 . 1 . . . . . 76 GLY CA . 51187 1 939 . 1 . 1 79 79 GLY N N 15 108.669 0.015 . 1 . . . . . 76 GLY N . 51187 1 940 . 1 . 1 80 80 PRO HA H 1 4.205 0.003 . 1 . . . . . 77 PRO HA . 51187 1 941 . 1 . 1 80 80 PRO HB2 H 1 1.684 0.010 . 2 . . . . . 77 PRO HB2 . 51187 1 942 . 1 . 1 80 80 PRO HB3 H 1 1.561 0.018 . 2 . . . . . 77 PRO HB3 . 51187 1 943 . 1 . 1 80 80 PRO HG2 H 1 1.506 0.009 . 2 . . . . . 77 PRO HG2 . 51187 1 944 . 1 . 1 80 80 PRO HG3 H 1 1.697 0.008 . 2 . . . . . 77 PRO HG3 . 51187 1 945 . 1 . 1 80 80 PRO HD2 H 1 3.486 0.009 . 2 . . . . . 77 PRO HD2 . 51187 1 946 . 1 . 1 80 80 PRO HD3 H 1 3.178 0.007 . 2 . . . . . 77 PRO HD3 . 51187 1 947 . 1 . 1 80 80 PRO C C 13 176.589 0.000 . 1 . . . . . 77 PRO C . 51187 1 948 . 1 . 1 80 80 PRO CA C 13 62.932 0.047 . 1 . . . . . 77 PRO CA . 51187 1 949 . 1 . 1 80 80 PRO CB C 13 31.982 0.147 . 1 . . . . . 77 PRO CB . 51187 1 950 . 1 . 1 80 80 PRO CG C 13 26.790 0.037 . 1 . . . . . 77 PRO CG . 51187 1 951 . 1 . 1 80 80 PRO CD C 13 49.615 0.021 . 1 . . . . . 77 PRO CD . 51187 1 952 . 1 . 1 81 81 SER H H 1 8.141 0.009 . 1 . . . . . 78 SER H . 51187 1 953 . 1 . 1 81 81 SER HA H 1 4.339 0.006 . 1 . . . . . 78 SER HA . 51187 1 954 . 1 . 1 81 81 SER HB2 H 1 3.714 0.008 . 2 . . . . . 78 SER HB2 . 51187 1 955 . 1 . 1 81 81 SER HB3 H 1 3.606 0.016 . 2 . . . . . 78 SER HB3 . 51187 1 956 . 1 . 1 81 81 SER C C 13 173.994 0.000 . 1 . . . . . 78 SER C . 51187 1 957 . 1 . 1 81 81 SER CA C 13 58.058 0.022 . 1 . . . . . 78 SER CA . 51187 1 958 . 1 . 1 81 81 SER CB C 13 63.722 0.059 . 1 . . . . . 78 SER CB . 51187 1 959 . 1 . 1 81 81 SER N N 15 115.326 0.016 . 1 . . . . . 78 SER N . 51187 1 960 . 1 . 1 82 82 PHE H H 1 8.128 0.004 . 1 . . . . . 79 PHE H . 51187 1 961 . 1 . 1 82 82 PHE HA H 1 4.674 0.016 . 1 . . . . . 79 PHE HA . 51187 1 962 . 1 . 1 82 82 PHE HB2 H 1 3.180 0.009 . 2 . . . . . 79 PHE HB2 . 51187 1 963 . 1 . 1 82 82 PHE HB3 H 1 2.951 0.012 . 2 . . . . . 79 PHE HB3 . 51187 1 964 . 1 . 1 82 82 PHE HD1 H 1 7.205 0.008 . 1 . . . . . 79 PHE HD1 . 51187 1 965 . 1 . 1 82 82 PHE HD2 H 1 7.205 0.008 . 1 . . . . . 79 PHE HD2 . 51187 1 966 . 1 . 1 82 82 PHE HE1 H 1 6.984 0.006 . 1 . . . . . 79 PHE HE1 . 51187 1 967 . 1 . 1 82 82 PHE HE2 H 1 6.984 0.006 . 1 . . . . . 79 PHE HE2 . 51187 1 968 . 1 . 1 82 82 PHE C C 13 175.600 0.000 . 1 . . . . . 79 PHE C . 51187 1 969 . 1 . 1 82 82 PHE CA C 13 57.347 0.212 . 1 . . . . . 79 PHE CA . 51187 1 970 . 1 . 1 82 82 PHE CB C 13 39.826 0.054 . 1 . . . . . 79 PHE CB . 51187 1 971 . 1 . 1 82 82 PHE CD1 C 13 131.460 0.051 . 1 . . . . . 79 PHE CD1 . 51187 1 972 . 1 . 1 82 82 PHE CD2 C 13 131.460 0.051 . 1 . . . . . 79 PHE CD2 . 51187 1 973 . 1 . 1 82 82 PHE CE1 C 13 119.560 0.275 . 1 . . . . . 79 PHE CE1 . 51187 1 974 . 1 . 1 82 82 PHE CE2 C 13 119.560 0.275 . 1 . . . . . 79 PHE CE2 . 51187 1 975 . 1 . 1 82 82 PHE N N 15 121.697 0.199 . 1 . . . . . 79 PHE N . 51187 1 976 . 1 . 1 83 83 GLY H H 1 8.118 0.004 . 1 . . . . . 80 GLY H . 51187 1 977 . 1 . 1 83 83 GLY HA2 H 1 3.991 0.015 . 2 . . . . . 80 GLY HA2 . 51187 1 978 . 1 . 1 83 83 GLY HA3 H 1 4.080 0.000 . 2 . . . . . 80 GLY HA3 . 51187 1 979 . 1 . 1 83 83 GLY CA C 13 44.487 0.139 . 1 . . . . . 80 GLY CA . 51187 1 980 . 1 . 1 83 83 GLY N N 15 110.665 0.024 . 1 . . . . . 80 GLY N . 51187 1 stop_ save_